Molecule

ID:38184

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₇
Molecular Mass
313.30316
Exact Mass
313.11615195
Charge
0
InChI
InChI=1S/C14H19NO7/c1-5-20-10-8-9(14(16)19-4)11(15(17)18)13(22-7-3)12(10)21-6-2/h8H,5-7H2,1-4H3
InChIKey
JTOUBRGMBGEYAA-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C(=O)OC)c(c(c1OCC)OCC)[N+](=O)[O-]
Isomeric Smiles
c1c(c(c(c(c1C(=O)OC)[N+](=O)[O-])OCC)OCC)OCC
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.514117
LogD (pH = 7.4)
2.514117
Log P
2.514117
Molar Refractivity
79.0434
Polarizability
29.844254
Polar Surface Area
99.81
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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