Molecule

ID:44529

General Information
Structure
Molecular Formula
C₁₁H₁₉NO₃
Molecular Mass
213.27346
Exact Mass
213.13649347
Charge
0
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13/h8-9H,4-7H2,1-3H3
InChIKey
KZNDGAGWQPGYTB-UHFFFAOYSA-N
Canonic Smiles
O=CC1CCCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1C(C=O)CCCC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.942019
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.472004
LogD (pH = 7.4)
1.472004
Log P
1.472004
Molar Refractivity
56.735
Polarizability
22.264418
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
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References
Bioactivity
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