Molecule

ID:87504

General Information
Structure
Molecular Formula
C₁₀H₁₂
Molecular Mass
132.20228
Exact Mass
132.09390038
Charge
0
InChI
InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey
BTOVVHWKPVSLBI-UHFFFAOYSA-N
Canonic Smiles
CC(=Cc1ccccc1)C
Isomeric Smiles
CC(=Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3399441
LogD (pH = 7.4)
3.3399441
Log P
3.3399441
Molar Refractivity
45.6998
Polarizability
17.639862
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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