Molecule

ID:18904

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₂O₂
Molecular Mass
158.54252
Exact Mass
157.98830503
Charge
0
InChI
InChI=1S/C5H3ClN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H
InChIKey
LIEPVGBDUYKPLC-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)[N+](=O)[O-]
Isomeric Smiles
c1cnc(cc1[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5197794
LogD (pH = 7.4)
1.5197794
Log P
1.5197794
Molar Refractivity
36.0877
Polarizability
13.38458
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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