Mrv0541 02241209422D          

 14 15  0  0  0  0            999 V2000
   -1.5707   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5707   -1.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561   -1.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1415   -1.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1415   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561   -0.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6431   -1.6044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1255   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6431   -0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2854   -1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8561    0.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5707    0.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2854    0.5270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5707    1.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM025159

> <DATABASE_NAME>
chemdb

> <SMILES>
NC(=O)CC1=CNC2=C1C=CC(O)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C10H10N2O2/c11-10(14)3-6-5-12-9-4-7(13)1-2-8(6)9/h1-2,4-5,12-13H,3H2,(H2,11,14)

> <INCHI_KEY>
PGXXGODNTPWQHZ-UHFFFAOYSA-N

> <FORMULA>
C10H10N2O2

> <MOLECULAR_WEIGHT>
190.1986

> <EXACT_MASS>
190.074227574

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
19.226161922658754

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(6-hydroxy-1H-indol-3-yl)acetamide

> <ALOGPS_LOGP>
0.49

> <JCHEM_LOGP>
0.599248163

> <ALOGPS_LOGS>
-1.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.415809548758364

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.523766658363384

> <JCHEM_PKA_STRONGEST_BASIC>
-2.4787258967573016

> <JCHEM_POLAR_SURFACE_AREA>
79.10999999999999

> <JCHEM_REFRACTIVITY>
52.25520000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.89e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(6-hydroxy-1H-indol-3-yl)acetamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
6-Hydroxy-1H-indole-3-acetamide

> <CAS>
192184-73-9

$$$$