Molecule

ID:29346

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₃NO
Molecular Mass
291.47142
Exact Mass
291.25621468
Charge
0
InChI
InChI=1S/C19H33NO/c1-3-5-7-9-11-17-21-19-14-12-18(13-15-19)20-16-10-8-6-4-2/h12-15,20H,3-11,16-17H2,1-2H3
InChIKey
RICNVDVQVCSCMK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)NCCCCCC
Isomeric Smiles
c1(NCCCCCC)ccc(cc1)OCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.544012
LogD (pH = 7.4)
6.1421156
Log P
6.158994
Molar Refractivity
93.4672
Polarizability
36.132523
Polar Surface Area
21.26
Rotatable Bonds
13
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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