Molecule

ID:56562

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅Cl₂NO₂
Molecular Mass
360.2339
Exact Mass
359.04798409
Charge
0
InChI
InChI=1S/C19H15Cl2NO2/c1-3-24-17-7-5-4-6-13(17)16-10-14(19(21)23)12-8-9-15(20)11(2)18(12)22-16/h4-10H,3H2,1-2H3
InChIKey
ZDFUQGMEXZFWKJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1c(OCC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.6714907
LogD (pH = 7.4)
5.6714916
Log P
5.6714916
Molar Refractivity
96.916
Polarizability
39.638718
Polar Surface Area
39.19
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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