Molecule

ID:58464

General Information
Structure
MolImage
Molecular Formula
C₄H₂ClN₃O₂
Molecular Mass
159.53058
Exact Mass
158.983554
Charge
0
InChI
InChI=1S/C4H2ClN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H
InChIKey
OFCBNMYNAHUDGE-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(cn1)[N+](=O)[O-]
Isomeric Smiles
c1(cnc(nc1)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.89827
LogD (pH = 7.4)
0.89827
Log P
0.89827
Molar Refractivity
34.5414
Polarizability
12.658354
Polar Surface Area
68.92
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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