Molecule

ID:130015

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₅
Molecular Mass
281.30436
Exact Mass
281.12632271
Charge
0
InChI
InChI=1S/C14H19NO5/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3
InChIKey
XWVOEFLBOSSYGM-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1OC)OC)C(=O)N1CCOCC1
Isomeric Smiles
COc1cc(cc(c1OC)OC)C(=O)N1CCOCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.5797237
LogD (pH = 7.4)
0.579724
Log P
0.579724
Molar Refractivity
73.3939
Polarizability
28.11345
Polar Surface Area
57.23
Rotatable Bonds
4
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
References
Bioactivity
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