Molecule

ID:109378

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₃NO
Molecular Mass
243.42862
Exact Mass
243.25621468
Charge
0
InChI
InChI=1S/C15H33NO/c1-3-5-7-8-9-12-15(11-6-4-2)17-14-10-13-16/h15H,3-14,16H2,1-2H3
InChIKey
VKOZKTKNSWWKPR-UHFFFAOYSA-N
Canonic Smiles
CCCCC(OCCCN)CCCCCCC
Isomeric Smiles
CCCCCCCC(CCCC)OCCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2954739
LogD (pH = 7.4)
1.757543
Log P
4.3179336
Molar Refractivity
76.2501
Polarizability
30.61029
Polar Surface Area
35.25
Rotatable Bonds
13
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
References
Bioactivity
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