Molecule

ID:73595

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃
Molecular Mass
121.13988
Exact Mass
121.06399724
Charge
0
InChI
InChI=1S/C6H7N3/c1-5-3-6(4-7)9(2)8-5/h3H,1-2H3
InChIKey
FLBLWIMFXGNWRG-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(cc1C#N)C
Isomeric Smiles
n1c(cc(n1C)C#N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.3083967
LogD (pH = 7.4)
0.30857113
Log P
0.30857337
Molar Refractivity
45.152
Polarizability
12.50344
Polar Surface Area
41.61
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
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References
Bioactivity
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