Mrv1572004191602122D          

 17 19  0  0  0  0            999 V2000
    4.2125    2.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6695    2.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4675    2.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4146    2.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4056    2.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4765    2.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9154    3.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9666    3.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8535    2.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285    2.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085    3.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736    3.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460    4.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410    3.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    5.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6710    4.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360    4.6149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 12 10  1  0  0  0  0
 14 11  1  0  0  0  0
 14 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008020

> <DATABASE_NAME>
chemdb

> <SMILES>
OC(=O)C1(O)C2=CC=CC=C2C2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)

> <INCHI_KEY>
GXAMYUGOODKVRM-UHFFFAOYSA-N

> <FORMULA>
C14H10O3

> <MOLECULAR_WEIGHT>
226.231

> <EXACT_MASS>
226.062994182

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
23.003500711939893

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
9-hydroxy-9H-fluorene-9-carboxylic acid

> <ALOGPS_LOGP>
2.11

> <JCHEM_LOGP>
2.2315266339999997

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.677011058568915

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.754569355814658

> <JCHEM_PKA_STRONGEST_BASIC>
-4.474555644741209

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
62.560300000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.18e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
flurenol

> <JCHEM_VEBER_RULE>
0

> <NAME>
Flurenol-methylester

> <CAS>
1216-44-0

> <SYNONYMS>
Flurenol; Flurenol-methyl

$$$$