Molecule

ID:56572

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₉Cl₂NO₂
Molecular Mass
388.28706
Exact Mass
387.07928421
Charge
0
InChI
InChI=1S/C21H19Cl2NO2/c1-3-4-11-26-15-7-5-14(6-8-15)19-12-17(21(23)25)16-9-10-18(22)13(2)20(16)24-19/h5-10,12H,3-4,11H2,1-2H3
InChIKey
APUUSQMYFCWRLO-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1ccc(cc1)OCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.6385775
LogD (pH = 7.4)
6.638582
Log P
6.6385827
Molar Refractivity
106.041
Polarizability
43.320595
Polar Surface Area
39.19
Rotatable Bonds
6
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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