Molecule

ID:53126

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₃
Molecular Mass
155.15126
Exact Mass
155.05824315
Charge
0
InChI
InChI=1S/C7H9NO3/c1-3-10-7(9)6-5(2)4-11-8-6/h4H,3H2,1-2H3
InChIKey
GLIAHNBDYLZILU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nocc1C
Isomeric Smiles
c1(nocc1C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3973478
LogD (pH = 7.4)
1.3973478
Log P
1.3973478
Molar Refractivity
38.9431
Polarizability
14.446913
Polar Surface Area
52.33
Rotatable Bonds
3
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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