Molecule

ID:83521

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO
Molecular Mass
193.62962
Exact Mass
193.02944156
Charge
0
InChI
InChI=1S/C10H8ClNO/c1-12-9-5-3-2-4-7(9)8(11)6-10(12)13/h2-6H,1H3
InChIKey
DCBIIUKJSLGVIH-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(=O)n(c2c1cccc2)C
Isomeric Smiles
n1(c(=O)cc(c2ccccc12)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6152714
LogD (pH = 7.4)
1.6152716
Log P
1.6152716
Molar Refractivity
53.1113
Polarizability
19.820929
Polar Surface Area
20.31
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
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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