Mrv1652306031606212D          

 23 26  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
    1.7266    5.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121    4.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121    6.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2976    5.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410    4.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7266    5.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2976    5.9587    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
   -0.4169    6.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1313    5.9587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4169    7.1962    0.0000 N   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
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 14  9  2  0  0  0  0
 14 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16  5  2  0  0  0  0
 17  6  2  0  0  0  0
 17 16  1  0  0  0  0
 18  7  2  0  0  0  0
 18 16  1  0  0  0  0
 19  8  2  0  0  0  0
 19 17  1  0  0  0  0
 20 13  2  0  0  0  0
 20 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM042865

> <DATABASE_NAME>
chemdb

> <SMILES>
NC(=N)C1=CC=C(C=C2C3=CC=CC=C3C3=CC=CC=C23)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H16N2/c22-21(23)15-11-9-14(10-12-15)13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H,(H3,22,23)

> <INCHI_KEY>
WOVTUUKKGNHVFZ-UHFFFAOYSA-N

> <FORMULA>
C21H16N2

> <MOLECULAR_WEIGHT>
296.373

> <EXACT_MASS>
296.131348523

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
34.235930090525365

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-[(9H-fluoren-9-ylidene)methyl]benzene-1-carboximidamide

> <ALOGPS_LOGP>
4.47

> <JCHEM_LOGP>
4.340733449333333

> <ALOGPS_LOGS>
-5.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
11.496204174168154

> <JCHEM_POLAR_SURFACE_AREA>
49.870000000000005

> <JCHEM_REFRACTIVITY>
115.8162

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.12e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(fluoren-9-ylidenemethyl)benzenecarboximidamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
renytoline

> <CAS>
1729-61-9

$$$$