Molecule

ID:124681

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO
Molecular Mass
205.64032
Exact Mass
205.02944156
Charge
0
InChI
InChI=1S/C11H8ClNO/c12-6-1-3-9-8(5-6)7-2-4-10(14)11(7)13-9/h1,3,5,13H,2,4H2
InChIKey
GSWMOQYMNZTVSB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c1CCC(=O)c1[nH]2
Isomeric Smiles
c12c(c3c([nH]1)ccc(c3)Cl)CCC2=O
Calculated Properties
JChem
Acid pKa
12.2334385
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4593637
LogD (pH = 7.4)
2.4593582
Log P
2.4593637
Molar Refractivity
55.4945
Polarizability
22.24545
Polar Surface Area
32.86
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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