Molecule

ID:15865

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(6-13)10(12)11/h2-6H,1H3
InChIKey
HUVIBKTZVLYGIR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Cl)n(c2c1cccc2)C
Isomeric Smiles
c1(c(n(c2c1cccc2)C)Cl)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3272417
LogD (pH = 7.4)
2.3272417
Log P
2.3272417
Molar Refractivity
53.4311
Polarizability
21.090708
Polar Surface Area
22.0
Rotatable Bonds
1
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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