Molecule

ID:9207

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClF₃O
Molecular Mass
210.5808496
Exact Mass
210.00592715
Charge
0
InChI
InChI=1S/C8H6ClF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChIKey
LBMKFQMJURUPKC-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)OC(F)(F)F
Isomeric Smiles
c1c(ccc(c1)CCl)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9915996
LogD (pH = 7.4)
3.9915996
Log P
3.9915996
Molar Refractivity
38.9952
Polarizability
16.016466
Polar Surface Area
9.23
Rotatable Bonds
3
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