Molecule

ID:70826

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO₃
Molecular Mass
141.12468
Exact Mass
141.04259309
Charge
0
InChI
InChI=1S/C6H7NO3/c1-2-9-6(8)5-7-3-4-10-5/h3-4H,2H2,1H3
InChIKey
JYQRCIRWXOYCLA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ncco1
Isomeric Smiles
o1c(ncc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.652967
LogD (pH = 7.4)
0.65296704
Log P
0.45296702
Molar Refractivity
33.0185
Polarizability
12.70087
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
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References
Bioactivity
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