Molecule
ID:84906
General Information
Molecular Formula
C₂₆H₃₀Cl₂N₂
Molecular Mass
441.4358
Exact Mass
440.17860433
Charge
0
InChI
InChI=1S/C26H30Cl2N2/c1-3-5-7-9-19-11-15-21(16-12-19)23-24(27)29-26(30-25(23)28)22-17-13-20(14-18-22)10-8-6-4-2/h11-18H,3-10H2,1-2H3
InChIKey
NJPAPBSZJWMXCD-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)c1nc(Cl)c(c(n1)Cl)c1ccc(cc1)CCCCC
Isomeric Smiles
n1c(c(c(nc1c1ccc(cc1)CCCCC)Cl)c1ccc(cc1)CCCCC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
10.13172
LogD (pH = 7.4)
10.13172
Log P
10.13172
Molar Refractivity
141.8922
Polarizability
51.96849
Polar Surface Area
25.78
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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