Molecule

ID:16083

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c1-15-7-2-3-10-8(4-7)9(6-13-10)11(14)5-12/h2-4,6,13H,5H2,1H3
InChIKey
QBFUNASXZRQFBJ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1c[nH]c2c1cc(OC)cc2
Isomeric Smiles
c1(c2c([nH]c1)ccc(c2)OC)C(=O)CCl
Calculated Properties
JChem
Acid pKa
13.426328
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.009328
LogD (pH = 7.4)
2.0093274
Log P
2.009328
Molar Refractivity
58.7637
Polarizability
23.604206
Polar Surface Area
42.09
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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