Molecule

ID:28808

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O
Molecular Mass
284.39596
Exact Mass
284.1888634
Charge
0
InChI
InChI=1S/C18H24N2O/c1-18(2,3)16-8-4-5-9-17(16)21-12-11-20-14-15-7-6-10-19-13-15/h4-10,13,20H,11-12,14H2,1-3H3
InChIKey
BRYLMYUZWFQJSX-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OCCNCc1cccnc1)(C)C
Isomeric Smiles
c1(C(C)(C)C)c(OCCNCc2cnccc2)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.52810043
LogD (pH = 7.4)
2.0838253
Log P
3.5030282
Molar Refractivity
86.3672
Polarizability
34.07284
Polar Surface Area
34.15
Rotatable Bonds
7
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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