Molecule

ID:14672

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c18-12-4-9-16-15-7-10-17(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15-16,18H,4,7-13H2
InChIKey
QLTWYVLPFXWGIX-UHFFFAOYSA-N
Canonic Smiles
OCCCNC1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCC(CC1)NCCCO
Calculated Properties
JChem
Acid pKa
15.9338255
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.2360983
LogD (pH = 7.4)
-2.157051
Log P
0.9282585
Molar Refractivity
75.9148
Polarizability
29.868357
Polar Surface Area
35.5
Rotatable Bonds
6
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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