Molecule

ID:35854

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClN₂O₂
Molecular Mass
208.6012
Exact Mass
208.00395509
Charge
0
InChI
InChI=1S/C9H5ClN2O2/c10-8-6(5-13)9(14)12-4-2-1-3-7(12)11-8/h1-5H
InChIKey
VHLHXLJSHPMFCL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Cl)nc2n(c1=O)cccc2
Isomeric Smiles
n12c(=O)c(c(nc1cccc2)Cl)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6360043
LogD (pH = 7.4)
0.6360043
Log P
0.6360043
Molar Refractivity
62.9282
Polarizability
19.07242
Polar Surface Area
49.74
Rotatable Bonds
1
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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