Molecule

ID:60252

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉NO₃
Molecular Mass
189.25206
Exact Mass
189.13649347
Charge
0
InChI
InChI=1S/C9H19NO3/c1-8(2,3)13-7(12)10-9(4,5)6-11/h11H,6H2,1-5H3,(H,10,12)
InChIKey
SBWYTQQSTIUXOP-UHFFFAOYSA-N
Canonic Smiles
OCC(NC(=O)OC(C)(C)C)(C)C
Isomeric Smiles
C(=O)(NC(CO)(C)C)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.297283
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.8736882
LogD (pH = 7.4)
0.87368816
Log P
0.8736882
Molar Refractivity
50.1411
Polarizability
19.85728
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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