Molecule

ID:86012

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClN₂O₂
Molecular Mass
212.63296
Exact Mass
212.03525522
Charge
0
InChI
InChI=1S/C9H9ClN2O2/c10-6-8(11)12-14-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12)
InChIKey
HOUUAIGUOYWWNK-UHFFFAOYSA-N
Canonic Smiles
ClC/C(=N/OC(=O)c1ccccc1)/N
Isomeric Smiles
N(=C(\N)/CCl)\OC(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7705959
LogD (pH = 7.4)
1.7707671
Log P
1.7707694
Molar Refractivity
52.9849
Polarizability
20.331419
Polar Surface Area
64.68
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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