Molecule

ID:56504

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅Cl₂NO
Molecular Mass
344.2345
Exact Mass
343.05306947
Charge
0
InChI
InChI=1S/C19H15Cl2NO/c1-2-3-12-4-6-13(7-5-12)18-11-16(19(21)23)15-10-14(20)8-9-17(15)22-18/h4-11H,2-3H2,1H3
InChIKey
PCWMJNSQLYAXCO-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Cl)Cl
Isomeric Smiles
c1(c2c(nc(c1)c1ccc(cc1)CCC)ccc(c2)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.3614883
LogD (pH = 7.4)
6.361492
Log P
6.361492
Molar Refractivity
94.9062
Polarizability
38.97447
Polar Surface Area
29.96
Rotatable Bonds
4
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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