Molecule

ID:63918

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₄O₂
Molecular Mass
198.56662
Exact Mass
197.99445304
Charge
0
InChI
InChI=1S/C6H3ClN4O2/c7-4-1-2-5-8-3-6(11(12)13)10(5)9-4/h1-3H
InChIKey
IJEZMDPWGDWYKJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(n1)c(cn2)[N+](=O)[O-]
Isomeric Smiles
c1(n2nc(ccc2nc1)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5064696
LogD (pH = 7.4)
1.5064697
Log P
1.5064697
Molar Refractivity
55.2135
Polarizability
16.443989
Polar Surface Area
73.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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