Molecule

ID:26836

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-13(2)12-18-15-5-3-4-14(10-15)11-17-8-6-16-7-9-17/h3-5,10,13,16H,6-9,11-12H2,1-2H3
InChIKey
DRRVRCNPIJCMFA-UHFFFAOYSA-N
Canonic Smiles
CC(COc1cccc(c1)CN1CCNCC1)C
Isomeric Smiles
N1(Cc2cc(OCC(C)C)ccc2)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7022849
LogD (pH = 7.4)
0.6275426
Log P
2.465346
Molar Refractivity
75.5635
Polarizability
29.925642
Polar Surface Area
24.5
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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