Molecule

ID:16221

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₃
Molecular Mass
199.24688
Exact Mass
199.12084341
Charge
0
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h7-8H,4-6H2,1-3H3
InChIKey
DWLADVOODHZCFV-UHFFFAOYSA-N
Canonic Smiles
O=CC1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(CC1C=O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.242933
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7161478
LogD (pH = 7.4)
0.7161478
Log P
0.7161478
Molar Refractivity
52.39
Polarizability
20.43282
Polar Surface Area
46.61
Rotatable Bonds
3
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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