Molecule

ID:80238

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₆
Molecular Mass
275.29824
Exact Mass
275.1368874
Charge
0
InChI
InChI=1S/C12H21NO6/c1-6-17-9(14)8(10(15)18-7-2)13-11(16)19-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,16)
InChIKey
ULRLHEXGRUWQLQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)OCC)NC(=O)OC(C)(C)C
Isomeric Smiles
N(C(=O)OC(C)(C)C)C(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
8.731144
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8107557
LogD (pH = 7.4)
1.7912238
Log P
1.3443439
Molar Refractivity
65.8919
Polarizability
26.413855
Polar Surface Area
90.93
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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