Molecule

ID:15041

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClN₂O
Molecular Mass
130.53242
Exact Mass
129.99339041
Charge
0
InChI
InChI=1S/C4H3ClN2O/c5-3-1-6-7-4(3)2-8/h1-2H,(H,6,7)
InChIKey
JCXMSYLXHJLALJ-UHFFFAOYSA-N
Canonic Smiles
Clc1c[nH]nc1C=O
Isomeric Smiles
c1(c(n[nH]c1)C=O)Cl
Calculated Properties
JChem
Acid pKa
10.0767565
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2685081
LogD (pH = 7.4)
1.2676135
Log P
1.26852
Molar Refractivity
30.749
Polarizability
11.076994
Polar Surface Area
45.75
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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