Molecule

ID:64084

General Information
Structure
Molecular Formula
C₁₂H₁₉NO₇
Molecular Mass
289.28176
Exact Mass
289.11615195
Charge
0
InChI
InChI=1S/C12H19NO7/c1-6-17-8(14)12(9(15)18-7-2)13(20-12)10(16)19-11(3,4)5/h6-7H2,1-5H3
InChIKey
IPVOKKLZOPXJRZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(ON1C(=O)OC(C)(C)C)C(=O)OCC
Isomeric Smiles
C(=O)(C1(C(=O)OCC)N(O1)C(=O)OC(C)(C)C)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.200205
LogD (pH = 7.4)
2.200205
Log P
2.200205
Molar Refractivity
65.4199
Polarizability
26.471214
Polar Surface Area
94.44
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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