Molecule

ID:29118

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO
Molecular Mass
235.3651
Exact Mass
235.19361443
Charge
0
InChI
InChI=1S/C15H25NO/c1-4-5-8-11-17-15-10-7-6-9-14(15)12-16-13(2)3/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3
InChIKey
WAQVTEOEUPUBSS-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccccc1CNC(C)C
Isomeric Smiles
c1(CNC(C)C)c(OCCCCC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7994837
LogD (pH = 7.4)
2.109509
Log P
3.915774
Molar Refractivity
73.4112
Polarizability
29.145296
Polar Surface Area
21.26
Rotatable Bonds
8
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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