Molecule

ID:12981

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₄
Molecular Mass
281.34742
Exact Mass
281.16270822
Charge
0
InChI
InChI=1S/C15H23NO4/c1-17-13-7-11(8-14(18-2)15(13)19-3)9-16-10-12-5-4-6-20-12/h7-8,12,16H,4-6,9-10H2,1-3H3
InChIKey
PLDISMFHHKDCEL-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNCC2CCCO2)cc(c1OC)OC
Isomeric Smiles
C1CC(OC1)CNCc1cc(c(c(c1)OC)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.5488133
LogD (pH = 7.4)
-0.059378225
Log P
1.4771699
Molar Refractivity
76.9503
Polarizability
30.425688
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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