Molecule

ID:37955

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO₃
Molecular Mass
183.20442
Exact Mass
183.08954328
Charge
0
InChI
InChI=1S/C9H13NO3/c1-4-12-9(11)8-5-7(6(2)3)10-13-8/h5-6H,4H2,1-3H3
InChIKey
SZORJEQCHPOLBC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1onc(c1)C(C)C
Isomeric Smiles
c1(cc(no1)C(C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9929694
LogD (pH = 7.4)
1.9929695
Log P
1.9929695
Molar Refractivity
47.9443
Polarizability
18.08721
Polar Surface Area
52.33
Rotatable Bonds
4
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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