Mrv1572004221604012D          

 27 31  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
    3.8000    4.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7381    5.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1439    5.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820    4.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3521    4.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2902    5.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5919    5.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5300    4.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931    4.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8890    4.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0971    5.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7849    5.7354    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
    2.4410    3.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6492    6.3485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2329    6.3485    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
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17  9  2  0  0  0  0
 17 10  1  0  0  0  0
 18 11  2  0  0  0  0
 18 12  1  0  0  0  0
 19 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21  5  2  0  0  0  0
 22  6  2  0  0  0  0
 22 21  1  0  0  0  0
 23  7  2  0  0  0  0
 23 21  1  0  0  0  0
 24  8  2  0  0  0  0
 24 22  1  0  0  0  0
 25 17  1  0  0  0  0
 25 18  1  0  0  0  0
 25 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017503

> <DATABASE_NAME>
chemdb

> <SMILES>
OC1=CC=C(C=C1)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C25H18O2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16,26-27H

> <INCHI_KEY>
YWFPGFJLYRKYJZ-UHFFFAOYSA-N

> <FORMULA>
C25H18O2

> <MOLECULAR_WEIGHT>
350.417

> <EXACT_MASS>
350.13067982

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
38.73108900813018

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[9-(4-hydroxyphenyl)-9H-fluoren-9-yl]phenol

> <ALOGPS_LOGP>
5.81

> <JCHEM_LOGP>
5.986562907333333

> <ALOGPS_LOGS>
-5.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.182481934541418

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.572668215815874

> <JCHEM_PKA_STRONGEST_BASIC>
-5.484779353864792

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
108.04889999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.56e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol

> <JCHEM_VEBER_RULE>
0

> <NAME>
4,4'-(9H-Fluorene-9,9-diyl)diphenol

> <CAS>
3236-71-3

> <SYNONYMS>
4-[9-(4-hydroxyphenyl)-9H-fluoren-9-yl]phenol; 9,9-bis(4-hydroxyphenyl)fluorene

$$$$