Molecule

ID:24623

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O
Molecular Mass
220.65496
Exact Mass
220.0403406
Charge
0
InChI
InChI=1S/C11H9ClN2O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
DKZPJLZXLKAMDO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)nn(c1Cl)c1ccccc1
Isomeric Smiles
n1(c(c(c(n1)C)C=O)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2219543
LogD (pH = 7.4)
2.2219918
Log P
2.2219923
Molar Refractivity
60.4011
Polarizability
22.985884
Polar Surface Area
34.89
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
Molecule Details
References
Bioactivity
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