Molecule

ID:117916

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)9-6-10(16-13-9)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKey
QDMSFKKRLBUFHN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1noc(c1)c1ccc(cc1)Cl
Isomeric Smiles
c1(noc(c1)c1ccc(cc1)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6983898
LogD (pH = 7.4)
2.6983898
Log P
2.6983898
Molar Refractivity
58.9718
Polarizability
23.59022
Polar Surface Area
52.33
Rotatable Bonds
3
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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