Molecule

ID:54872

General Information
Structure
Molecular Formula
C₁₇H₂₄N₂O₆
Molecular Mass
352.38226
Exact Mass
352.1634365
Charge
0
InChI
InChI=1S/C17H24N2O6/c1-16(2,3)24-14(21)19(15(22)25-17(4,5)6)12-9-8-11(10-18-12)13(20)23-7/h8-10H,1-7H3
InChIKey
UIQQEFDORBBOKS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(nc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Isomeric Smiles
N(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)c1ncc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.566718
LogD (pH = 7.4)
3.566718
Log P
3.566718
Molar Refractivity
89.7464
Polarizability
35.015182
Polar Surface Area
95.03
Rotatable Bonds
7
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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