Molecule

ID:15627

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO
Molecular Mass
193.62962
Exact Mass
193.02944156
Charge
0
InChI
InChI=1S/C10H8ClNO/c1-12-9(6-13)5-7-4-8(11)2-3-10(7)12/h2-6H,1H3
InChIKey
SNHRITPGIZRMKC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2c(n1C)ccc(c2)Cl
Isomeric Smiles
c1c(cc2c(c1)n(c(c2)C=O)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.532232
LogD (pH = 7.4)
2.532232
Log P
2.532232
Molar Refractivity
53.3075
Polarizability
21.054392
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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