Molecule

ID:108683

General Information
Structure
MolImage
Molecular Formula
C₂₈H₃₂N₂
Molecular Mass
396.56708
Exact Mass
396.25654903
Charge
0
InChI
InChI=1S/C28H32N2/c1-3-5-7-23-13-17-27(18-14-23)29-21-25-9-11-26(12-10-25)22-30-28-19-15-24(16-20-28)8-6-4-2/h9-22H,3-8H2,1-2H3
InChIKey
OWDOPPGNUYIHFQ-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)/N=C/c1ccc(cc1)/C=N/c1ccc(cc1)CCCC
Isomeric Smiles
CCCCc1ccc(cc1)/N=C/c1ccc(cc1)/C=N/c1ccc(CCCC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
9.413936
LogD (pH = 7.4)
9.415997
Log P
9.416022
Molar Refractivity
134.4056
Polarizability
49.304344
Polar Surface Area
24.72
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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