Molecule
ID:94931
General Information
Molecular Formula
C₇H₃ClF₂O₂
Molecular Mass
192.5473264
Exact Mass
191.97896346
Charge
0
InChI
InChI=1S/C7H3ClF2O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChIKey
RRJYBDSJDKWHOS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(F)c(c(c1)Cl)F
Isomeric Smiles
OC(=O)c1cc(c(c(c1)F)F)Cl
Calculated Properties
JChem
Acid pKa
3.7660468
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7852828
LogD (pH = 7.4)
-0.7573694
Log P
2.5202773
Molar Refractivity
38.5518
Polarizability
14.2945795
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...