Molecule

ID:29611

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂
Molecular Mass
282.42314
Exact Mass
282.20959884
Charge
0
InChI
InChI=1S/C19H26N2/c1-3-21(4-2)19-14-12-18(13-15-19)20-16-8-11-17-9-6-5-7-10-17/h5-7,9-10,12-15,20H,3-4,8,11,16H2,1-2H3
InChIKey
GMASILVAUCAKQI-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)NCCCc1ccccc1)CC
Isomeric Smiles
c1(N(CC)CC)ccc(NCCCc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7189825
LogD (pH = 7.4)
4.344623
Log P
4.7253866
Molar Refractivity
94.1462
Polarizability
35.093815
Polar Surface Area
15.27
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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