Molecule

ID:14383

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClN₂O₃
Molecular Mass
228.63236
Exact Mass
228.03016984
Charge
0
InChI
InChI=1S/C9H9ClN2O3/c10-5-8(14)11-12-9(15)6-3-1-2-4-7(6)13/h1-4,13H,5H2,(H,11,14)(H,12,15)
InChIKey
ZVIAMOPKVYHXAV-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NNC(=O)c1ccccc1O
Isomeric Smiles
c1(C(=O)NNC(=O)CCl)c(cccc1)O
Calculated Properties
JChem
Acid pKa
7.4178925
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.1134776
LogD (pH = 7.4)
0.8492686
Log P
1.1182152
Molar Refractivity
54.7364
Polarizability
20.62863
Polar Surface Area
78.43
Rotatable Bonds
3
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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