Molecule

ID:56596

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅Cl₂NO
Molecular Mass
344.2345
Exact Mass
343.05306947
Charge
0
InChI
InChI=1S/C19H15Cl2NO/c1-10-4-5-11(2)14(8-10)17-9-15(19(21)23)13-6-7-16(20)12(3)18(13)22-17/h4-9H,1-3H3
InChIKey
WOLRCFFIIOFEIP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl)C
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.499195
LogD (pH = 7.4)
6.4991975
Log P
6.4991975
Molar Refractivity
95.7866
Polarizability
38.820873
Polar Surface Area
29.96
Rotatable Bonds
2
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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