Molecule

ID:40040

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c1-7(14)11-6-10(13-15-11)8-2-4-9(12)5-3-8/h2-7,14H,1H3
InChIKey
SQYVFTREWNTIKO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1noc(c1)C(O)C
Isomeric Smiles
c1(cc(no1)c1ccc(cc1)Cl)C(O)C
Calculated Properties
JChem
Acid pKa
13.339701
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5441377
LogD (pH = 7.4)
2.5441375
Log P
2.544138
Molar Refractivity
58.1812
Polarizability
23.424135
Polar Surface Area
46.26
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
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Molecule Details
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References
Bioactivity
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