525
  Mrv1652305271900312D          

 22 24  0  0  0  0            999 V2000
    5.2224    0.8107    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -0.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.4268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659   -0.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -0.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8180   -0.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8180    1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    1.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5654   -0.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5654    0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  2  0  0  0  0
  5 11  1  0  0  0  0
  5 15  2  0  0  0  0
  6  9  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10 17  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 13 20  1  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB023578

> <DATABASE_NAME>
foodb

> <SMILES>
CN(C(=S)OC1=CC2=CC=CC=C2C=C1)C1=CC=CC(C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3

> <INCHI_KEY>
FUSNMLFNXJSCDI-UHFFFAOYSA-N

> <FORMULA>
C19H17NOS

> <MOLECULAR_WEIGHT>
307.409

> <EXACT_MASS>
307.103084861

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
34.22480823447255

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-methyl-N-(3-methylphenyl)-1-(naphthalen-2-yloxy)methanethioamide

> <ALOGPS_LOGP>
4.87

> <JCHEM_LOGP>
5.745039567000001

> <ALOGPS_LOGS>
-5.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
0.07504048749554171

> <JCHEM_POLAR_SURFACE_AREA>
12.47

> <JCHEM_REFRACTIVITY>
94.92040000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.46e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tolnaftate

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB023578

> <GENERIC_NAME>
Tolnaftate

$$$$