Molecule

ID:22270

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClN₂O₂
Molecular Mass
172.5691
Exact Mass
172.00395509
Charge
0
InChI
InChI=1S/C6H5ClN2O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3
InChIKey
GHSRMSJVYMITDX-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1C)Cl
Isomeric Smiles
c1(ccc(c(n1)C)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6511496
LogD (pH = 7.4)
1.6511496
Log P
1.6511496
Molar Refractivity
40.6792
Polarizability
15.1262
Polar Surface Area
56.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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