Molecule

ID:67094

General Information
Structure
MolImage
Molecular Formula
C₆H₆N₄
Molecular Mass
134.13864
Exact Mass
134.05924621
Charge
0
InChI
InChI=1S/C6H6N4/c7-5-1-2-6-8-3-4-10(6)9-5/h1-4H,(H2,7,9)
InChIKey
DCLWNTIANRACSB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2n(n1)ccn2
Isomeric Smiles
c12ccc(nn1ccn2)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.37329146
LogD (pH = 7.4)
0.41789868
Log P
0.4185042
Molar Refractivity
48.7875
Polarizability
13.537125
Polar Surface Area
56.21
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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