Molecule

ID:80730

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₃
Molecular Mass
197.231
Exact Mass
197.10519335
Charge
0
InChI
InChI=1S/C10H15NO3/c1-6-8(5-12)9(10(13)14-4)7(2)11(6)3/h12H,5H2,1-4H3
InChIKey
FFUVBWOENFZJKC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(C)n(c(c1CO)C)C
Isomeric Smiles
n1(c(c(c(c1C)CO)C(=O)OC)C)C
Calculated Properties
JChem
Acid pKa
14.820546
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.91205585
LogD (pH = 7.4)
0.91205585
Log P
0.91205585
Molar Refractivity
54.8541
Polarizability
20.236246
Polar Surface Area
51.46
Rotatable Bonds
3
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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