Molecule

ID:56293

General Information
Structure
Molecular Formula
C₁₇H₁₂ClNO
Molecular Mass
281.73628
Exact Mass
281.06074169
Charge
0
InChI
InChI=1S/C17H12ClNO/c1-11-7-8-15-13(9-11)14(17(18)20)10-16(19-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
KOWQZYNTYVSLJX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(cc(n2)c1ccccc1)C(=O)Cl
Isomeric Smiles
c1(c2c(nc(c1)c1ccccc1)ccc(c2)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.868274
LogD (pH = 7.4)
4.8683095
Log P
4.86831
Molar Refractivity
80.8994
Polarizability
33.483223
Polar Surface Area
29.96
Rotatable Bonds
2
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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