Molecule

ID:29836

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂
Molecular Mass
94.11454
Exact Mass
94.0530982
Charge
0
InChI
InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3
InChIKey
LVILGAOSPDLNRM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccncn1
Isomeric Smiles
c1nc(ccn1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.18070029
LogD (pH = 7.4)
0.18110052
Log P
0.18110563
Molar Refractivity
27.3138
Polarizability
10.299117
Polar Surface Area
25.78
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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