Molecule

ID:41659

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO
Molecular Mass
193.62962
Exact Mass
193.02944156
Charge
0
InChI
InChI=1S/C10H8ClNO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
WKLODVHSLLFKMY-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(c1)c1ccccc1
Isomeric Smiles
n1c(cc(o1)CCl)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8781097
LogD (pH = 7.4)
2.8781102
Log P
2.8781102
Molar Refractivity
52.0086
Polarizability
20.914248
Polar Surface Area
26.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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