Molecule

ID:100196

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F
Molecular Mass
164.2193232
Exact Mass
164.10012864
Charge
0
InChI
InChI=1S/C11H13F/c1-8(2)6-10-4-5-11(12)9(3)7-10/h4-5,7H,1,6H2,2-3H3
InChIKey
AVSKWYXUVSMHQH-UHFFFAOYSA-N
Canonic Smiles
CC(=C)Cc1ccc(c(c1)C)F
Isomeric Smiles
Fc1c(cc(cc1)CC(=C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.971301
LogD (pH = 7.4)
3.971301
Log P
3.971301
Molar Refractivity
49.8849
Polarizability
18.869507
Polar Surface Area
0.0
Rotatable Bonds
2
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