Molecule

ID:63641

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₃
Molecular Mass
133.14574
Exact Mass
133.07389322
Charge
0
InChI
InChI=1S/C5H11NO3/c1-5(2,3)9-4(7)6-8/h8H,1-3H3,(H,6,7)
InChIKey
DRDVJQOGFWAVLH-UHFFFAOYSA-N
Canonic Smiles
ONC(=O)OC(C)(C)C
Isomeric Smiles
O(C(C)(C)C)C(=O)NO
Calculated Properties
JChem
Acid pKa
8.455683
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.6393041
LogD (pH = 7.4)
0.60348445
Log P
0.6397807
Molar Refractivity
31.6597
Polarizability
12.556731
Polar Surface Area
58.56
Rotatable Bonds
2
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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