Molecule

ID:41277

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-13-10(12)8-4-2-3-5-9(8)14-7-6-11/h2-5H,7H2,1H3
InChIKey
GMWTWTDYLCCEKF-UHFFFAOYSA-N
Canonic Smiles
N#CCOc1ccccc1C(=O)OC
Isomeric Smiles
c1ccc(c(c1)C(=O)OC)OCC#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3549837
LogD (pH = 7.4)
1.3549837
Log P
1.3549837
Molar Refractivity
49.6104
Polarizability
18.983084
Polar Surface Area
59.32
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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