Molecule

ID:76468

General Information
Structure
Molecular Formula
C₁₂H₈
Molecular Mass
152.19192
Exact Mass
152.06260026
Charge
0
InChI
InChI=1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H
InChIKey
IFVTZJHWGZSXFD-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)c1c2cccc1
Isomeric Smiles
c1ccc2c(c1)c1c2cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2944508
LogD (pH = 7.4)
3.2944508
Log P
3.2944508
Molar Refractivity
50.2724
Polarizability
22.321188
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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