Molecule

ID:13271

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₄
Molecular Mass
281.34742
Exact Mass
281.16270822
Charge
0
InChI
InChI=1S/C15H23NO4/c1-17-13-7-6-11(14(18-2)15(13)19-3)9-16-10-12-5-4-8-20-12/h6-7,12,16H,4-5,8-10H2,1-3H3
InChIKey
IOTCZIWATHDQAE-UHFFFAOYSA-N
Canonic Smiles
COc1c(CNCC2CCCO2)ccc(c1OC)OC
Isomeric Smiles
C1CC(OC1)CNCc1c(c(c(cc1)OC)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.351025
LogD (pH = 7.4)
0.3110284
Log P
1.4771699
Molar Refractivity
76.9503
Polarizability
30.42589
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
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Molecule Details
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References
Bioactivity
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