Molecule

ID:8461

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂
Molecular Mass
156.22368
Exact Mass
156.09390038
Charge
0
InChI
InChI=1S/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3
InChIKey
LRQYSMQNJLZKPS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)cc(cc2)C
Isomeric Smiles
c1(C)cc2c(cc1)ccc(c2)C
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
19.03
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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