Molecule

ID:37956

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO₃
Molecular Mass
183.20442
Exact Mass
183.08954328
Charge
0
InChI
InChI=1S/C9H13NO3/c1-3-5-7-6-8(10-13-7)9(11)12-4-2/h6H,3-5H2,1-2H3
InChIKey
VSYYQHJRGRPPTC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1noc(c1)CCC
Isomeric Smiles
c1(noc(c1)CCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0505788
LogD (pH = 7.4)
2.0505788
Log P
2.0505788
Molar Refractivity
48.1766
Polarizability
18.091038
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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