Molecule

ID:18651

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₃
Molecular Mass
277.35872
Exact Mass
277.1677936
Charge
0
InChI
InChI=1S/C16H23NO3/c1-19-15-8-5-7-14(13-18)16(15)20-12-6-11-17-9-3-2-4-10-17/h5,7-8,13H,2-4,6,9-12H2,1H3
InChIKey
KVLICRGBHHHQBZ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCCCN1CCCCC1)C=O
Isomeric Smiles
c1(c(C=O)cccc1OC)OCCCN1CCCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.4766383
LogD (pH = 7.4)
1.2901902
Log P
2.299376
Molar Refractivity
80.5949
Polarizability
30.948011
Polar Surface Area
38.77
Rotatable Bonds
7
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
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References
Bioactivity
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