Molecule

ID:56583

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅Cl₂NO
Molecular Mass
344.2345
Exact Mass
343.05306947
Charge
0
InChI
InChI=1S/C19H15Cl2NO/c1-11(2)12-6-8-13(9-7-12)17-10-15(19(21)23)14-4-3-5-16(20)18(14)22-17/h3-11H,1-2H3
InChIKey
JQSLDFWUTVWADK-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1cccc2Cl)c1ccc(cc1)C(C)C
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)C(C)C)C(=O)Cl)cccc2Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.203942
LogD (pH = 7.4)
6.2039423
Log P
6.203943
Molar Refractivity
94.8538
Polarizability
39.000683
Polar Surface Area
29.96
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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