Molecule

ID:67910

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₂O₂
Molecular Mass
158.54252
Exact Mass
157.98830503
Charge
0
InChI
InChI=1S/C5H3ClN2O2/c6-4-2-1-3-5(7-4)8(9)10/h1-3H
InChIKey
YRSNXUYQRUULNJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(n1)[N+](=O)[O-]
Isomeric Smiles
c1(cccc(n1)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.114237
LogD (pH = 7.4)
2.114237
Log P
2.114237
Molar Refractivity
36.4012
Polarizability
13.392275
Polar Surface Area
56.03
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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