Molecule

ID:44568

General Information
Structure
Molecular Formula
C₁₄H₁₃NO₅
Molecular Mass
275.25672
Exact Mass
275.07937252
Charge
0
InChI
InChI=1S/C14H13NO5/c1-3-19-14(17)12-11(8-20-15-12)13(16)9-4-6-10(18-2)7-5-9/h4-8H,3H2,1-2H3
InChIKey
PNVDVDLKWPJHLF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nocc1C(=O)c1ccc(cc1)OC
Isomeric Smiles
c1(c(noc1)C(=O)OCC)C(=O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
19.48545
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1856081
LogD (pH = 7.4)
2.1856081
Log P
2.1856081
Molar Refractivity
70.9406
Polarizability
26.832024
Polar Surface Area
78.63
Rotatable Bonds
6
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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