Molecule

ID:62011

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-13-4-5-15(14(2)12-13)18-11-3-8-17-9-6-16-7-10-17/h4-5,12,16H,3,6-11H2,1-2H3
InChIKey
HPCCBWZFGNSGSD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)OCCCN1CCNCC1
Isomeric Smiles
N1(CCCOc2c(cc(cc2)C)C)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8629799
LogD (pH = 7.4)
0.48560083
Log P
2.3850932
Molar Refractivity
76.2435
Polarizability
29.771774
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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