Molecule

ID:58159

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO₃
Molecular Mass
203.27864
Exact Mass
203.15214354
Charge
0
InChI
InChI=1S/C10H21NO3/c1-9(2,3)14-8(12)11-10(4,5)7-13-6/h7H2,1-6H3,(H,11,12)
InChIKey
VPUPUQCLEUNSET-UHFFFAOYSA-N
Canonic Smiles
COCC(NC(=O)OC(C)(C)C)(C)C
Isomeric Smiles
O(CC(NC(=O)OC(C)(C)C)(C)C)C
Calculated Properties
JChem
Acid pKa
14.525784
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5168147
LogD (pH = 7.4)
1.5168147
Log P
1.5168147
Molar Refractivity
54.8923
Polarizability
21.76071
Polar Surface Area
47.56
Rotatable Bonds
5
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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