Molecule

ID:60328

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₃
Molecular Mass
197.231
Exact Mass
197.10519335
Charge
0
InChI
InChI=1S/C10H15NO3/c1-4-13-10(12)6-5-9-7(2)11-14-8(9)3/h4-6H2,1-3H3
InChIKey
ZSIKUODTTWGBPS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCc1c(C)noc1C
Isomeric Smiles
o1c(c(c(n1)C)CCC(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2536879
LogD (pH = 7.4)
1.253741
Log P
1.2537416
Molar Refractivity
52.6675
Polarizability
19.854021
Polar Surface Area
52.33
Rotatable Bonds
5
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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