Molecule
ID:40982
General Information
Molecular Formula
C₆H₆N₄
Molecular Mass
134.13864
Exact Mass
134.05924621
Charge
0
InChI
InChI=1S/C6H6N4/c7-5-2-1-3-10-6(5)8-4-9-10/h1-4H,7H2
InChIKey
LJPJXPHHXBKTKJ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccn2c1ncn2
Isomeric Smiles
c12n(ncn1)cccc2N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.33390453
LogD (pH = 7.4)
0.33585623
Log P
0.33588117
Molar Refractivity
49.4521
Polarizability
13.544388
Polar Surface Area
56.21
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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