Molecule

ID:107145

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂
Molecular Mass
156.22368
Exact Mass
156.09390038
Charge
0
InChI
InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3
InChIKey
WWGUMAYGTYQSGA-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2ccccc2cc1C
Isomeric Smiles
Cc1cc2c(cccc2)cc1C
Calculated Properties
JChem
LogD (pH = 7.4)
3.99
LogD (pH = 5.5)
3.99
Log P
3.99
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
18.88
Molar Refractivity
52.59
LOG S
-4.31
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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