Molecule

ID:17944

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂O₂
Molecular Mass
164.16132
Exact Mass
164.05857751
Charge
0
InChI
InChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3
InChIKey
FPNLXQSOWBNXCN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)oc(=O)n2C
Isomeric Smiles
c12c(n(c(=O)o1)C)ccc(c2)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3654995
LogD (pH = 7.4)
0.36675075
Log P
0.36676672
Molar Refractivity
44.0805
Polarizability
16.314756
Polar Surface Area
55.56
Rotatable Bonds
0
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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