Molecule

ID:9717

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₃
Molecular Mass
168.15002
Exact Mass
168.05349213
Charge
0
InChI
InChI=1S/C7H8N2O3/c8-9-7(12)5-2-1-4(10)3-6(5)11/h1-3,10-11H,8H2,(H,9,12)
InChIKey
GOPUHTXVZGIOHN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1O)O
Isomeric Smiles
c1(c(cc(cc1)O)O)C(=O)NN
Calculated Properties
JChem
Acid pKa
7.9616165
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
0.56837595
LogD (pH = 7.4)
0.46481907
Log P
0.5702798
Molar Refractivity
43.5823
Polarizability
15.871027
Polar Surface Area
95.58
Rotatable Bonds
1
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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