Molecule

ID:61807

General Information
Structure
Molecular Formula
C₆H₃ClFNO₂
Molecular Mass
175.5449232
Exact Mass
174.98363424
Charge
0
InChI
InChI=1S/C6H3ClFNO2/c7-5-3(8)1-2-4(9-5)6(10)11/h1-2H,(H,10,11)
InChIKey
JHFKXHUKNYFWJM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(n1)Cl)F
Isomeric Smiles
c1(ccc(c(n1)Cl)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6642475
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.06742488
LogD (pH = 7.4)
-1.5536002
Log P
1.7659304
Molar Refractivity
36.8678
Polarizability
13.685367
Polar Surface Area
50.19
Rotatable Bonds
1
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