Molecule

ID:79773

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉NO₂
Molecular Mass
279.41766
Exact Mass
279.21982917
Charge
0
InChI
InChI=1S/C17H29NO2/c19-17(15-11-10-12-15)20-18-16-13-8-6-4-2-1-3-5-7-9-14-16/h15H,1-14H2
InChIKey
RJQRWFPKJVEWDQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC1)ON=C1CCCCCCCCCCC1
Isomeric Smiles
N(=C1CCCCCCCCCCC1)OC(=O)C1CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.5321336
LogD (pH = 7.4)
5.532341
Log P
5.532344
Molar Refractivity
80.8268
Polarizability
32.073235
Polar Surface Area
38.66
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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