Molecule

ID:64132

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO₃
Molecular Mass
141.12468
Exact Mass
141.04259309
Charge
0
InChI
InChI=1S/C6H7NO3/c1-2-10-6(8)5-3-9-4-7-5/h3-4H,2H2,1H3
InChIKey
UBESIXFCSFYQNK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cocn1
Isomeric Smiles
c1(ncoc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.66127247
LogD (pH = 7.4)
0.66127247
Log P
0.46127245
Molar Refractivity
33.1693
Polarizability
12.696571
Polar Surface Area
52.33
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
References
Bioactivity
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