Molecule

ID:107010

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(C)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.22
LogD (pH = 5.5)
3.22
Log P
3.22
Rotatable Bonds
1
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
14.82
Molar Refractivity
40.25
LOG S
-2.83
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation