Molecule

ID:9718

General Information
Structure
Molecular Formula
C₇H₈N₂O₃
Molecular Mass
168.15002
Exact Mass
168.05349213
Charge
0
InChI
InChI=1S/C7H8N2O3/c8-9-7(12)4-1-2-5(10)6(11)3-4/h1-3,10-11H,8H2,(H,9,12)
InChIKey
WGXWEXNJRZMIPT-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(c(c1)O)O
Isomeric Smiles
c1c(C(=O)NN)cc(c(c1)O)O
Calculated Properties
JChem
Acid pKa
8.395855
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-0.08118093
LogD (pH = 7.4)
-0.121187985
Log P
-0.07972023
Molar Refractivity
43.5823
Polarizability
15.870458
Polar Surface Area
95.58
Rotatable Bonds
1
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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