Molecule

ID:132746

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₅
Molecular Mass
336.38286
Exact Mass
336.16852188
Charge
0
InChI
InChI=1S/C17H24N2O5/c1-11(2)14(15(20)18-12(3)16(21)23-4)19-17(22)24-10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,18,20)(H,19,22)
InChIKey
VSOOFDMWRZMGLN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C
Isomeric Smiles
CC(C)C(C(=O)NC(C)C(=O)OC)NC(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
12.232308
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0807698
LogD (pH = 7.4)
2.080764
Log P
2.0807698
Molar Refractivity
87.2394
Polarizability
34.504353
Polar Surface Area
93.73
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
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Molecule Details
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References
Bioactivity
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