Molecule

ID:45050

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈N₂O₆
Molecular Mass
332.39262
Exact Mass
332.19473663
Charge
0
InChI
InChI=1S/C13H24N2O4.C2H4O2/c1-4-18-12(16)6-10-8-14-9-11(15(10)3)7-13(17)19-5-2;1-2(3)4/h10-11,14H,4-9H2,1-3H3;1H3,(H,3,4)/t10-,11+;
InChIKey
FNOXQUTUTLFFHB-NJJJQDLFSA-N
Canonic Smiles
CC(=O)O.CCOC(=O)C[C@@H]1CNC[C@@H](N1C)CC(=O)OCC
Isomeric Smiles
N1([C@@H](CC(=O)OCC)CNC[C@H]1CC(=O)OCC)C.C(=O)(O)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5420933
LogD (pH = 7.4)
-0.79760027
Log P
0.20917135
Molar Refractivity
70.6873
Polarizability
28.561354
Polar Surface Area
67.87
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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