Molecule

ID:18757

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₃
Molecular Mass
277.35872
Exact Mass
277.1677936
Charge
0
InChI
InChI=1S/C16H23NO3/c1-13-5-7-17(8-6-13)9-10-20-15-4-3-14(12-18)11-16(15)19-2/h3-4,11-13H,5-10H2,1-2H3
InChIKey
ASVJKZKXSARGPZ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OCCN1CCC(CC1)C
Isomeric Smiles
N1(CCC(CC1)C)CCOc1c(cc(C=O)cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.21915464
LogD (pH = 7.4)
1.9567975
Log P
2.5264354
Molar Refractivity
80.2781
Polarizability
30.945427
Polar Surface Area
38.77
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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