Molecule

ID:75816

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClN₂O₃
Molecular Mass
188.5685
Exact Mass
187.99886971
Charge
0
InChI
InChI=1S/C6H5ClN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6/h2-3H,1H3
InChIKey
HJHWUNVJRITHTQ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(Cl)cnc1OC
Isomeric Smiles
n1c(c(cc(c1)Cl)[N+](=O)[O-])OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7363886
LogD (pH = 7.4)
1.7363886
Log P
1.7363886
Molar Refractivity
41.8031
Polarizability
15.907324
Polar Surface Area
65.26
Rotatable Bonds
2
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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