Molecule

ID:13676

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₂O₂
Molecular Mass
158.54252
Exact Mass
157.98830503
Charge
0
InChI
InChI=1S/C5H3ClN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H
InChIKey
JOTRPRKONYTVBV-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnccc1Cl
Isomeric Smiles
c1cncc(c1Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2996018
LogD (pH = 7.4)
1.2996023
Log P
1.2996023
Molar Refractivity
35.0264
Polarizability
13.357718
Polar Surface Area
56.03
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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