Molecule

ID:56588

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₉Cl₂NO
Molecular Mass
372.28766
Exact Mass
371.08436959
Charge
0
InChI
InChI=1S/C21H19Cl2NO/c1-4-12(2)14-5-7-15(8-6-14)19-11-17(21(23)25)16-9-10-18(22)13(3)20(16)24-19/h5-12H,4H2,1-3H3
InChIKey
QQWSVJXORDFDGA-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl)C
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1ccc(cc1)C(CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.161928
LogD (pH = 7.4)
7.1619325
Log P
7.1619325
Molar Refractivity
104.496
Polarizability
42.589935
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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