Molecule

ID:56580

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅Cl₂NO
Molecular Mass
344.2345
Exact Mass
343.05306947
Charge
0
InChI
InChI=1S/C19H15Cl2NO/c1-3-12-4-6-13(7-5-12)17-10-15(19(21)23)14-8-9-16(20)11(2)18(14)22-17/h4-10H,3H2,1-2H3
InChIKey
WATWZMURFMACMJ-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.4303403
LogD (pH = 7.4)
6.4303446
Log P
6.430345
Molar Refractivity
95.3464
Polarizability
38.899208
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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