Molecule

ID:35189

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₅
Molecular Mass
279.28848
Exact Mass
279.11067265
Charge
0
InChI
InChI=1S/C14H17NO5/c1-3-19-12-8-10(5-7-14(17)18-2)4-6-11(12)20-9-13(15)16/h4-8H,3,9H2,1-2H3,(H2,15,16)/b7-5+
InChIKey
OTRJBPZTVHNGNO-FNORWQNLSA-N
Canonic Smiles
CCOc1cc(/C=C/C(=O)OC)ccc1OCC(=O)N
Isomeric Smiles
C(=C\c1cc(c(OCC(=O)N)cc1)OCC)/C(=O)OC
Calculated Properties
JChem
Acid pKa
15.389473
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2278198
LogD (pH = 7.4)
1.2278198
Log P
1.2278198
Molar Refractivity
73.4108
Polarizability
28.260271
Polar Surface Area
87.85
Rotatable Bonds
8
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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