Molecule

ID:77662

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂
Molecular Mass
120.19158
Exact Mass
120.09390038
Charge
0
InChI
InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
InChIKey
AUHZEENZYGFFBQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)cc(c1)C
Isomeric Smiles
Cc1cc(cc(c1)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
3.51
LogD (pH = 5.5)
3.51
Log P
3.51
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
15.23
Molar Refractivity
41.18
LOG S
-2.90
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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