Molecule

ID:37156

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₃
Molecular Mass
161.1989
Exact Mass
161.10519335
Charge
0
InChI
InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10)
InChIKey
GPTXCAZYUMDUMN-UHFFFAOYSA-N
Canonic Smiles
OCCNC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(OC(C)(C)C)NCCO
Calculated Properties
JChem
Acid pKa
14.737103
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.17653652
LogD (pH = 7.4)
0.17653649
Log P
0.17653652
Molar Refractivity
41.0841
Polarizability
16.19904
Polar Surface Area
58.56
Rotatable Bonds
4
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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