Molecule

ID:29635

General Information
Structure
Molecular Formula
C₁₉H₃₁NO
Molecular Mass
289.45554
Exact Mass
289.24056462
Charge
0
InChI
InChI=1S/C19H31NO/c1-19(2,3)15-20-17-9-11-18(12-10-17)21-14-13-16-7-5-4-6-8-16/h9-12,16,20H,4-8,13-15H2,1-3H3
InChIKey
FOTYCYDONCOHDO-UHFFFAOYSA-N
Canonic Smiles
CC(CNc1ccc(cc1)OCCC1CCCCC1)(C)C
Isomeric Smiles
N(c1ccc(cc1)OCCC1CCCCC1)CC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.61874
LogD (pH = 7.4)
5.3650723
Log P
5.391555
Molar Refractivity
91.2803
Polarizability
35.39284
Polar Surface Area
21.26
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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