Molecule
ID:68008
General Information
Molecular Formula
C₇H₃Cl₂FO₂
Molecular Mass
209.0019232
Exact Mass
207.94941292
Charge
0
InChI
InChI=1S/C7H3Cl2FO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12)
InChIKey
XFOJZPTYJMXNKK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(Cl)c(cc1F)Cl
Isomeric Smiles
C(=O)(c1c(cc(c(c1)Cl)Cl)F)O
Calculated Properties
JChem
Acid pKa
3.1506646
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6581234
LogD (pH = 7.4)
-0.47210467
Log P
2.98162
Molar Refractivity
43.1402
Polarizability
16.408882
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...