Molecule

ID:34917

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O
Molecular Mass
284.39596
Exact Mass
284.1888634
Charge
0
InChI
InChI=1S/C18H24N2O/c1-15-7-8-18(21-15)13-19-17-9-11-20(12-10-17)14-16-5-3-2-4-6-16/h2-8,17,19H,9-14H2,1H3
InChIKey
BWSHFQZRQUKHHL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)CNC1CCN(CC1)Cc1ccccc1
Isomeric Smiles
o1c(ccc1C)CNC1CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9608002
LogD (pH = 7.4)
0.53446674
Log P
2.542682
Molar Refractivity
86.9103
Polarizability
33.78971
Polar Surface Area
28.41
Rotatable Bonds
5
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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