Molecule

ID:19146

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClN₂O₂
Molecular Mass
172.5691
Exact Mass
172.00395509
Charge
0
InChI
InChI=1S/C6H5ClN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H3
InChIKey
OSIOIGXJUZTWRI-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnc(c(c1)C)Cl
Isomeric Smiles
c1(c(cc(cn1)[N+](=O)[O-])C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0332007
LogD (pH = 7.4)
2.0332007
Log P
2.0332007
Molar Refractivity
41.1289
Polarizability
15.124569
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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