Molecule

ID:90701

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₂
Molecular Mass
131.17292
Exact Mass
131.09462866
Charge
0
InChI
InChI=1S/C6H13NO2/c1-6(2,3)9-5(8)4-7/h4,7H2,1-3H3
InChIKey
SJMDMGHPMLKLHQ-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)OC(C)(C)C
Isomeric Smiles
O(C(=O)CN)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5321546
LogD (pH = 7.4)
-0.120159544
Log P
0.052378148
Molar Refractivity
34.5781
Polarizability
14.082125
Polar Surface Area
52.32
Rotatable Bonds
3
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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