Mrv1652305271900282D          

 14 14  0  0  0  0            999 V2000
 9998.7414 9999.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.4557 9999.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.1715 9999.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.8853 9999.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.6011 9999.4919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.8853 9998.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.741410000.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.311910000.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.0263 9999.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3119 9999.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.5975 9999.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.5974 9998.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3118 9997.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.0263 9998.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  1  9  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB010505

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)

> <INCHI_KEY>
ONJSZLXSECQROL-UHFFFAOYSA-N

> <FORMULA>
C9H9NO4

> <MOLECULAR_WEIGHT>
195.1721

> <EXACT_MASS>
195.053157781

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
18.402480744498597

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
0.51

> <JCHEM_LOGP>
0.8719801626666666

> <ALOGPS_LOGS>
-1.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.195038343572135

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2728802708317217

> <JCHEM_PKA_STRONGEST_BASIC>
-1.8536860417511458

> <JCHEM_POLAR_SURFACE_AREA>
86.63

> <JCHEM_REFRACTIVITY>
48.098600000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.04e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
salicyluric acid

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB010505

> <GENERIC_NAME>
N-(2-Hydroxybenzoyl)glycine

$$$$