Molecule
ID:121703
General Information
Molecular Formula
C₁₂H₁₀ClNO
Molecular Mass
219.6669
Exact Mass
219.04509163
Charge
0
InChI
InChI=1S/C12H10ClNO/c13-7-10-6-9-3-1-2-8-4-5-14(11(8)9)12(10)15/h1-3,6H,4-5,7H2
InChIKey
JSBNIUVFFXBMMU-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc2cccc3c2n(c1=O)CC3
Isomeric Smiles
n12c(=O)c(cc3c1c(CC2)ccc3)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9704679
LogD (pH = 7.4)
1.970468
Log P
1.9704682
Molar Refractivity
60.8875
Polarizability
22.763384
Polar Surface Area
20.31
Rotatable Bonds
1
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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