Molecule

ID:109971

General Information
Structure
MolImage
Molecular Formula
C₂₈H₄₃N
Molecular Mass
393.64772
Exact Mass
393.33955038
Charge
0
InChI
InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3
InChIKey
QAPVYZRWKDXNDK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC
Isomeric Smiles
CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
10.663929
LogD (pH = 7.4)
10.663975
Log P
10.663976
Molar Refractivity
129.0406
Polarizability
50.52373
Polar Surface Area
12.03
Rotatable Bonds
16
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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