Molecule

ID:84454

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClN₂O₂
Molecular Mass
212.63296
Exact Mass
212.03525522
Charge
0
InChI
InChI=1S/C9H9ClN2O2/c10-6-8(13)11-12-9(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H,12,14)
InChIKey
WGMBYJNNXDASJS-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NNC(=O)c1ccccc1
Isomeric Smiles
N(C(=O)c1ccccc1)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
7.75768
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7696613
LogD (pH = 7.4)
0.6349724
Log P
0.77178055
Molar Refractivity
52.7555
Polarizability
19.955843
Polar Surface Area
58.2
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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