Molecule

ID:112548

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂
Molecular Mass
120.19158
Exact Mass
120.09390038
Charge
0
InChI
InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3
InChIKey
OJOWICOBYCXEKR-UHFFFAOYSA-N
Canonic Smiles
C/C=C\1/CC2CC1C=C2
Isomeric Smiles
C/C=C\1/CC2CC1C=C2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2972422
LogD (pH = 7.4)
2.2972422
Log P
2.2972422
Molar Refractivity
41.4162
Polarizability
15.418333
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
暂无数据
点击上传数据
References
Bioactivity
Navigation