Molecule

ID:79652

General Information
Structure
Molecular Formula
C₁₄H₁₂
Molecular Mass
180.24508
Exact Mass
180.09390038
Charge
0
InChI
InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2
InChIKey
XXPBFNVKTVJZKF-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)c1ccccc1CC2
Isomeric Smiles
C1c2c(cccc2)c2ccccc2C1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.183588
LogD (pH = 7.4)
4.183588
Log P
4.183588
Molar Refractivity
59.4744
Polarizability
24.28826
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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