Molecule

ID:86218

General Information
Structure
MolImage
Molecular Formula
C₆H₆N₈
Molecular Mass
190.16544
Exact Mass
190.07154223
Charge
0
InChI
InChI=1S/C6H6N8/c7-1-4-2-11-14(5(4)8)6-12-10-3-13(6)9/h2-3H,8-9H2
InChIKey
FPPWEOPSCGLUQS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnn(c1N)c1nncn1N
Isomeric Smiles
n1(c2nncn2N)c(c(C#N)cn1)N
Calculated Properties
JChem
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-2.1849597
LogD (pH = 7.4)
-2.184748
Log P
-2.184745
Molar Refractivity
52.6341
Polarizability
16.924337
Polar Surface Area
124.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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