Molecule

ID:67928

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₃
Molecular Mass
197.231
Exact Mass
197.10519335
Charge
0
InChI
InChI=1S/C10H15NO3/c1-5-13-9(12)7-6-8(14-11-7)10(2,3)4/h6H,5H2,1-4H3
InChIKey
FDLIJPQDQLVOMY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1noc(c1)C(C)(C)C
Isomeric Smiles
o1nc(cc1C(C)(C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5489838
LogD (pH = 7.4)
2.5489838
Log P
2.3489838
Molar Refractivity
52.4453
Polarizability
19.918161
Polar Surface Area
52.33
Rotatable Bonds
4
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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