Molecule
ID:37908
General Information
Molecular Formula
C₁₃H₁₃NO₅
Molecular Mass
263.24602
Exact Mass
263.07937252
Charge
0
InChI
InChI=1S/C13H13NO5/c1-16-10-5-4-8(6-12(10)17-2)11-7-9(14-19-11)13(15)18-3/h4-7H,1-3H3
InChIKey
WHIZBBOEHIOEDP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1noc(c1)c1ccc(c(c1)OC)OC
Isomeric Smiles
c1(noc(c1)c1cc(c(cc1)OC)OC)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7790024
LogD (pH = 7.4)
1.7790024
Log P
1.7790024
Molar Refractivity
67.0934
Polarizability
26.761929
Polar Surface Area
70.79
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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