Molecule

ID:41660

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c1-14-9-4-2-8(3-5-9)11-6-10(7-12)15-13-11/h2-6H,7H2,1H3
InChIKey
UAVKQZLQYPVICE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1noc(c1)CCl
Isomeric Smiles
n1c(cc(o1)CCl)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7204385
LogD (pH = 7.4)
2.720439
Log P
2.720439
Molar Refractivity
58.4718
Polarizability
23.431942
Polar Surface Area
35.26
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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