Molecule

ID:61291

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₃
Molecular Mass
237.63912
Exact Mass
237.0192708
Charge
0
InChI
InChI=1S/C11H8ClNO3/c1-16-9-3-2-7(12)6-8(9)13-10(14)4-5-11(13)15/h2-6H,1H3
InChIKey
KRYUCWYKHXDVIC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N1C(=O)C=CC1=O)Cl
Isomeric Smiles
N1(c2cc(ccc2OC)Cl)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6921043
LogD (pH = 7.4)
1.6921049
Log P
1.692105
Molar Refractivity
59.2937
Polarizability
22.44277
Polar Surface Area
46.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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