Molecule

ID:51400

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀F₂
Molecular Mass
190.2733064
Exact Mass
190.15330708
Charge
0
InChI
InChI=1S/C11H20F2/c1-4-10(2,3)9-5-7-11(12,13)8-6-9/h9H,4-8H2,1-3H3
InChIKey
WEZIKWSRZKJGBR-UHFFFAOYSA-N
Canonic Smiles
CCC(C1CCC(CC1)(F)F)(C)C
Isomeric Smiles
C1(CCC(CC1)C(C)(C)CC)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9174907
LogD (pH = 7.4)
3.9174907
Log P
3.9174907
Molar Refractivity
50.9761
Polarizability
19.66373
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