Molecule

ID:92059

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂O₃
Molecular Mass
192.17142
Exact Mass
192.05349213
Charge
0
InChI
InChI=1S/C9H8N2O3/c1-2-13-9(12)6-3-4-7-8(5-6)11-14-10-7/h3-5H,2H2,1H3
InChIKey
ZTZZIZQMAQKOPC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc2c(c1)non2
Isomeric Smiles
o1nc2c(n1)ccc(c2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6835535
LogD (pH = 7.4)
1.6835535
Log P
1.6835535
Molar Refractivity
48.9087
Polarizability
19.259338
Polar Surface Area
65.22
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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