Molecule

ID:90152

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₃
Molecular Mass
237.63912
Exact Mass
237.0192708
Charge
0
InChI
InChI=1S/C11H8ClNO3/c1-15-11(14)9-10(16-6-13-9)7-4-2-3-5-8(7)12/h2-6H,1H3
InChIKey
OPVGROBAFGODPL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ncoc1c1ccccc1Cl
Isomeric Smiles
o1c(c(nc1)C(=O)OC)c1c(cccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4757357
LogD (pH = 7.4)
2.4757357
Log P
2.2757356
Molar Refractivity
58.2392
Polarizability
23.602655
Polar Surface Area
52.33
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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