Molecule

ID:27374

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃O
Molecular Mass
151.16586
Exact Mass
151.07456192
Charge
0
InChI
InChI=1S/C7H9N3O/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)
InChIKey
MOCKWYUCPREFCZ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Nc1ccccc1
Isomeric Smiles
C(=O)(Nc1ccccc1)NN
Calculated Properties
JChem
Acid pKa
12.865093
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
0.5798691
LogD (pH = 7.4)
0.5809201
Log P
0.58093494
Molar Refractivity
44.0818
Polarizability
15.930914
Polar Surface Area
67.15
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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