Molecule

ID:8628

General Information
Structure
MolImage
Molecular Formula
C₃HClF₄O
Molecular Mass
164.4860528
Exact Mass
163.96520521
Charge
0
InChI
InChI=1S/C3HClF4O/c4-1(9)3(7,8)2(5)6/h2H
InChIKey
BASQMECTPQYEIA-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(=O)Cl)(F)F)F
Isomeric Smiles
C(C(C(=O)Cl)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.69982
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6541948
LogD (pH = 7.4)
1.6541948
Log P
1.6541948
Molar Refractivity
21.2907
Polarizability
8.318287
Polar Surface Area
17.07
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