Mrv1652305271900162D          

 15 15  0  0  0  0            999 V2000
   24.7578  -12.8609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3289  -16.1609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4723   -9.9734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0434   -9.9734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0434  -11.6234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3289  -12.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3289  -13.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0434  -12.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0434  -14.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6144  -14.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0434  -14.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6144  -14.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7578  -11.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3289  -15.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7578  -10.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 15  2  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 14  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB022212

> <DATABASE_NAME>
foodb

> <SMILES>
OC(=O)CNC(=O)CC1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)5-9(13)11-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)

> <INCHI_KEY>
CPPDWYIPKSSNNM-UHFFFAOYSA-N

> <FORMULA>
C10H11NO4

> <MOLECULAR_WEIGHT>
209.1986

> <EXACT_MASS>
209.068807845

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
20.12583774703211

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[2-(4-hydroxyphenyl)acetamido]acetic acid

> <ALOGPS_LOGP>
0.46

> <JCHEM_LOGP>
0.20214554399999995

> <ALOGPS_LOGS>
-2.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.497345318787255

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.538129429787069

> <JCHEM_PKA_STRONGEST_BASIC>
-2.926284978780969

> <JCHEM_POLAR_SURFACE_AREA>
86.63

> <JCHEM_REFRACTIVITY>
52.150000000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.00e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
p-hydroxyphenylacetylglycine

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB022212

> <GENERIC_NAME>
Hydroxyphenylacetylglycine

$$$$