Molecule

ID:61028

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₆
Molecular Mass
160.13616
Exact Mass
160.04974416
Charge
0
InChI
InChI=1S/C6H4N6/c7-3-4-6(8)12-5(11-10-4)1-2-9-12/h1-2H,8H2
InChIKey
IBDFEAAYRWQLBK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nnc2n(c1N)ncc2
Isomeric Smiles
n12c(c(nnc1ccn2)C#N)N
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.82449764
LogD (pH = 7.4)
-0.8244859
Log P
-0.8244858
Molar Refractivity
52.9402
Polarizability
14.575282
Polar Surface Area
92.89
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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