Molecule

ID:8541

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁F
Molecular Mass
138.1820432
Exact Mass
138.08447857
Charge
0
InChI
InChI=1S/C9H11F/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
InChIKey
ZLGPNBBJPOBSLY-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)F
Isomeric Smiles
c1c(C)c(c(cc1C)C)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6562119
LogD (pH = 7.4)
3.6562119
Log P
3.6562119
Molar Refractivity
41.398
Polarizability
15.271284
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