Mrv1572004251604322D          

 24 26  0  0  0  0            999 V2000
    5.4434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    1.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059    2.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.5559    0.0000 H   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
 10  9  2  0  0  0  0
 11  5  2  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14  8  2  0  0  0  0
 14 12  1  0  0  0  0
 14 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  ISO  8  15   2  16   2  17   2  18   2  19   2  20   2  21   2  22   2
M  ISO  2  23   2  24   2
M  END
> <DATABASE_ID>
CHEM007937

> <DATABASE_NAME>
chemdb

> <SMILES>
[2H]C1=C([2H])C([2H])=C2C(C([2H])=C([2H])C3=C([2H])C([2H])=C([2H])C([2H])=C23)=C1[2H]

> <INCHI_IDENTIFIER>
InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D

> <INCHI_KEY>
YNPNZTXNASCQKK-LHNTUAQVSA-N

> <FORMULA>
C14H10

> <MOLECULAR_WEIGHT>
188.295

> <EXACT_MASS>
188.141017781

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
20.430342365126123

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(²H₁₀)phenanthrene

> <ALOGPS_LOGP>
4.55

> <JCHEM_LOGP>
3.9521993293333337

> <ALOGPS_LOGS>
-5.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
58.95840000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.41e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(²H₁₀)phenanthrene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Phenanthrene-d10

> <CAS>
1517-22-2

$$$$