Molecule

ID:14814

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-17-13-7-11(8-14(18-2)15(13)19-3)9-16-10-12-5-4-6-20-12/h4-8,16H,9-10H2,1-3H3
InChIKey
PMKYUHRVKDVASG-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNCc2ccco2)cc(c1OC)OC
Isomeric Smiles
c1(c(cc(cc1OC)CNCc1ccco1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.16372865
LogD (pH = 7.4)
1.4734583
Log P
1.8433006
Molar Refractivity
75.6991
Polarizability
29.552444
Polar Surface Area
52.86
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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