Molecule

ID:56581

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅Cl₂NO
Molecular Mass
344.2345
Exact Mass
343.05306947
Charge
0
InChI
InChI=1S/C19H15Cl2NO/c1-2-4-12-7-9-13(10-8-12)17-11-15(19(21)23)14-5-3-6-16(20)18(14)22-17/h3,5-11H,2,4H2,1H3
InChIKey
URCTZFGISUTIBZ-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(Cl)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)CCC)C(=O)Cl)cccc2Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.361491
LogD (pH = 7.4)
6.361492
Log P
6.361492
Molar Refractivity
94.9062
Polarizability
39.00128
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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