Molecule

ID:24853

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₆
Molecular Mass
240.26388
Exact Mass
240.11234441
Charge
0
InChI
InChI=1S/C12H12N6/c1-7-4-10-16(13-7)11-5-8(2)15-18(11)12-6-9(3)14-17(10)12/h4-6H,1-3H3
InChIKey
RRVYKTOCIBSWQN-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2n(n1)c1cc(nn1c1n2nc(c1)C)C
Isomeric Smiles
n12c(n3c(n4c1cc(n4)C)cc(n3)C)cc(n2)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7928982
LogD (pH = 7.4)
1.7929627
Log P
1.7929635
Molar Refractivity
96.6459
Polarizability
24.485386
Polar Surface Area
51.9
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
No Data Available
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Molecule Details
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References
Bioactivity
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