Molecule

ID:79239

General Information
Structure
Molecular Formula
C₁₁H₁₉NO₃
Molecular Mass
213.27346
Exact Mass
213.13649347
Charge
0
InChI
InChI=1S/C11H19NO3/c1-8(13)9(7-12(5)6)10(14)15-11(2,3)4/h7H,1-6H3
InChIKey
KJFFPNCTSYAOCU-UHFFFAOYSA-N
Canonic Smiles
CN(/C=C(/C(=O)OC(C)(C)C)\C(=O)C)C
Isomeric Smiles
O(C(=O)/C(=C/N(C)C)/C(=O)C)C(C)(C)C
Calculated Properties
JChem
Acid pKa
18.221504
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4169327
LogD (pH = 7.4)
1.4703131
Log P
1.4710379
Molar Refractivity
59.196
Polarizability
22.736542
Polar Surface Area
46.61
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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