Molecule

ID:101882

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO
Molecular Mass
193.62962
Exact Mass
193.02944156
Charge
0
InChI
InChI=1S/C10H8ClNO/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-5,13H,6H2
InChIKey
XLSKEUSDSZNPLA-UHFFFAOYSA-N
Canonic Smiles
OCc1cc2ccccc2nc1Cl
Isomeric Smiles
n1c(c(cc2c1cccc2)CO)Cl
Calculated Properties
JChem
Acid pKa
14.432473
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1877704
LogD (pH = 7.4)
2.1877725
Log P
2.1877725
Molar Refractivity
52.6613
Polarizability
21.32957
Polar Surface Area
33.12
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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