Molecule

ID:65260

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₃
Molecular Mass
211.25758
Exact Mass
211.12084341
Charge
0
InChI
InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11/h4-7H2,1-3H3
InChIKey
HQHRAGXKFOTSQE-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2(C1)CC(=O)C2)OC(C)(C)C
Isomeric Smiles
C12(CC(=O)C1)CN(C2)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
18.254496
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.75204957
LogD (pH = 7.4)
0.75204957
Log P
0.75204957
Molar Refractivity
54.7844
Polarizability
21.549036
Polar Surface Area
46.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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