Molecule

ID:88714

General Information
Structure
MolImage
Molecular Formula
C₆H₆N₄
Molecular Mass
134.13864
Exact Mass
134.05924621
Charge
0
InChI
InChI=1S/C6H6N4/c1-5-2-3-6-8-7-4-10(6)9-5/h2-4H,1H3
InChIKey
YGHABLOINYBGJN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2n(n1)cnn2
Isomeric Smiles
n12c(nnc1)ccc(n2)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.17616099
LogD (pH = 7.4)
-0.17610952
Log P
-0.17610887
Molar Refractivity
48.5813
Polarizability
13.298855
Polar Surface Area
43.08
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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