Molecule

ID:80729

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₃
Molecular Mass
195.21512
Exact Mass
195.08954328
Charge
0
InChI
InChI=1S/C10H13NO3/c1-6-8(5-12)9(10(13)14-4)7(2)11(6)3/h5H,1-4H3
InChIKey
NEDLMVCFWFSFNJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(C)n(c(c1C=O)C)C
Isomeric Smiles
n1(c(c(c(c1C)C=O)C(=O)OC)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3919079
LogD (pH = 7.4)
1.3919079
Log P
1.3919079
Molar Refractivity
54.6222
Polarizability
19.687489
Polar Surface Area
48.3
Rotatable Bonds
3
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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