Molecule

ID:77810

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClNO₃
Molecular Mass
161.54316
Exact Mass
160.98797067
Charge
0
InChI
InChI=1S/C5H4ClNO3/c1-2-3(5(8)9)10-7-4(2)6/h1H3,(H,8,9)
InChIKey
VZDQOOMDLLMPSY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1onc(c1C)Cl
Isomeric Smiles
n1c(c(c(o1)C(=O)O)C)Cl
Calculated Properties
JChem
Acid pKa
2.7581348
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.424025
LogD (pH = 7.4)
-2.2441638
Log P
1.2530185
Molar Refractivity
35.541
Polarizability
12.6770735
Polar Surface Area
63.33
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