Molecule

ID:56530

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅Cl₂NO₂
Molecular Mass
360.2339
Exact Mass
359.04798409
Charge
0
InChI
InChI=1S/C19H15Cl2NO2/c1-2-9-24-18-6-4-3-5-13(18)17-11-15(19(21)23)14-10-12(20)7-8-16(14)22-17/h3-8,10-11H,2,9H2,1H3
InChIKey
NXUAZZTXDVBIAQ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccccc1c1nc2ccc(cc2c(c1)C(=O)Cl)Cl
Isomeric Smiles
c1(nc2c(c(c1)C(=O)Cl)cc(cc2)Cl)c1c(OCCC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.680592
LogD (pH = 7.4)
5.6805925
Log P
5.6805925
Molar Refractivity
96.3988
Polarizability
39.71322
Polar Surface Area
39.19
Rotatable Bonds
5
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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