Molecule

ID:13717

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)11-6-4-5-8(12)7-11/h4-7H2,1-3H3
InChIKey
RIFXIGDBUBXKEI-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(CC(=O)C1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
18.541248
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1249263
LogD (pH = 7.4)
1.1249263
Log P
1.1249263
Molar Refractivity
52.2195
Polarizability
20.43282
Polar Surface Area
46.61
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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