Molecule

ID:135031

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂
Molecular Mass
120.19158
Exact Mass
120.09390038
Charge
0
InChI
InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
RWGFKTVRMDUZSP-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)C
Isomeric Smiles
CC(c1ccccc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.218255
LogD (pH = 7.4)
3.218255
Log P
3.218255
Molar Refractivity
40.2488
Polarizability
15.938867
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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