Molecule

ID:13663

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂
Molecular Mass
94.11454
Exact Mass
94.0530982
Charge
0
InChI
InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2
InChIKey
CUYKNJBYIJFRCU-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1
Isomeric Smiles
c1cncc(c1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.44281685
LogD (pH = 7.4)
-0.081923924
Log P
-0.07335257
Molar Refractivity
28.6015
Polarizability
10.568512
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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