Molecule

ID:89794

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClNO₂
Molecular Mass
157.55446
Exact Mass
156.99305605
Charge
0
InChI
InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChIKey
CZGCEKJOLUNIFY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
Clc1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5172746
LogD (pH = 7.4)
2.5172746
Log P
2.5172746
Molar Refractivity
37.1833
Polarizability
14.142337
Polar Surface Area
43.14
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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