Molecule

ID:13578

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-12(13-4-6-15(18-3)7-5-13)16-14-8-10-17(2)11-9-14/h4-7,12,14,16H,8-11H2,1-3H3
InChIKey
UMEYLXKJXCYVOF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(NC1CCN(CC1)C)C
Isomeric Smiles
C1N(CCC(C1)NC(c1ccc(cc1)OC)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2118402
LogD (pH = 7.4)
-0.98862684
Log P
1.8173045
Molar Refractivity
75.6391
Polarizability
29.925379
Polar Surface Area
24.5
Rotatable Bonds
4
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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