Molecule

ID:32153

General Information
Structure
Molecular Formula
C₆H₃ClFNO₂
Molecular Mass
175.5449232
Exact Mass
174.98363424
Charge
0
InChI
InChI=1S/C6H3ClFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
InChIKey
TYSZXBYTBZUZQB-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1)C(=O)O)F
Isomeric Smiles
C(=O)(c1cc(cnc1F)Cl)O
Calculated Properties
JChem
Acid pKa
4.488386
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5031863
LogD (pH = 7.4)
-1.2645153
Log P
1.5538336
Molar Refractivity
37.1932
Polarizability
13.613526
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