Molecule

ID:53844

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O
Molecular Mass
136.15122
Exact Mass
136.06366289
Charge
0
InChI
InChI=1S/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
InChIKey
WARCRYXKINZHGQ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccccc1
Isomeric Smiles
c1cccc(c1)C(=O)NN
Calculated Properties
JChem
LogD (pH = 7.4)
0.53
LogD (pH = 5.5)
0.53
Log P
0.53
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
2.36
Polar Surface Area
55.12
Polarizability
13.87
Molar Refractivity
39.62
LOG S
-1.58
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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