Molecule
ID:87100
General Information
Molecular Formula
C₁₂H₁₀ClNO
Molecular Mass
219.6669
Exact Mass
219.04509163
Charge
0
InChI
InChI=1S/C12H10ClNO/c13-10-7-11(15)14-6-2-4-8-3-1-5-9(10)12(8)14/h1,3,5,7H,2,4,6H2
InChIKey
XYGCWJUXRWKBMI-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(=O)n2c3c1cccc3CCC2
Isomeric Smiles
n12c(=O)cc(c3cccc(c13)CCC2)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0997286
LogD (pH = 7.4)
2.0997286
Log P
2.0997286
Molar Refractivity
61.0219
Polarizability
22.770826
Polar Surface Area
20.31
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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