Molecule

ID:68432

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO
Molecular Mass
193.62962
Exact Mass
193.02944156
Charge
0
InChI
InChI=1S/C10H8ClNO/c1-12-8-5-3-2-4-7(8)6-9(12)10(11)13/h2-6H,1H3
InChIKey
USATVDUBRWEFMO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc2c(n1C)cccc2
Isomeric Smiles
C(=O)(c1n(c2c(c1)cccc2)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4065976
LogD (pH = 7.4)
2.4065976
Log P
2.4065976
Molar Refractivity
53.0334
Polarizability
21.04269
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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