Molecule

ID:80153

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂
Molecular Mass
168.23438
Exact Mass
168.09390038
Charge
0
InChI
InChI=1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
NPDIDUXTRAITDE-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1ccccc1
Isomeric Smiles
Cc1cccc(c1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1338925
LogD (pH = 7.4)
4.1338925
Log P
4.1338925
Molar Refractivity
56.2354
Polarizability
23.294224
Polar Surface Area
0.0
Rotatable Bonds
1
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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