Molecule

ID:71086

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO₃
Molecular Mass
141.12468
Exact Mass
141.04259309
Charge
0
InChI
InChI=1S/C6H7NO3/c1-4-5(3-7-10-4)6(8)9-2/h3H,1-2H3
InChIKey
AHLBUWIGURZNRZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnoc1C
Isomeric Smiles
o1ncc(c1C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5408292
LogD (pH = 7.4)
0.5408295
Log P
0.5408295
Molar Refractivity
34.675
Polarizability
12.627689
Polar Surface Area
52.33
Rotatable Bonds
2
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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