Molecule

ID:19164

General Information
Structure
MolImage
Molecular Formula
C₄HCl₂N₃O₂
Molecular Mass
193.97564
Exact Mass
192.94458165
Charge
0
InChI
InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H
InChIKey
INUSQTPGSHFGHM-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)Cl)[N+](=O)[O-]
Isomeric Smiles
c1(nc(c(cn1)[N+](=O)[O-])Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7224919
LogD (pH = 7.4)
1.7224919
Log P
1.7224919
Molar Refractivity
40.4075
Polarizability
14.748448
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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