Molecule

ID:134713

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂
Molecular Mass
94.11454
Exact Mass
94.0530982
Charge
0
InChI
InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
InChIKey
NUKYPUAOHBNCPY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccncc1
Isomeric Smiles
c1cnccc1N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0573177
LogD (pH = 7.4)
-0.96570987
Log P
-0.07335257
Molar Refractivity
28.6015
Polarizability
10.589744
Polar Surface Area
38.91
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
References
Bioactivity
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