Molecule

ID:16872

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₄
Molecular Mass
281.34742
Exact Mass
281.16270822
Charge
0
InChI
InChI=1S/C15H23NO4/c1-17-13-8-15(19-3)14(18-2)7-11(13)9-16-10-12-5-4-6-20-12/h7-8,12,16H,4-6,9-10H2,1-3H3
InChIKey
OXCKCCGTEIJZMV-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)c(cc1CNCC1CCCO1)OC
Isomeric Smiles
c1(c(cc(c(c1)OC)OC)OC)CNCC1CCCO1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.3363382
LogD (pH = 7.4)
0.33288434
Log P
1.4771699
Molar Refractivity
76.9503
Polarizability
30.423508
Polar Surface Area
48.95
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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