Molecule

ID:61091

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₆
Molecular Mass
264.28528
Exact Mass
264.11234441
Charge
0
InChI
InChI=1S/C14H12N6/c15-13-18-12(10-6-3-4-8-16-10)20-11-7-2-1-5-9(11)17-14(20)19-13/h1-8,12H,(H3,15,17,18,19)
InChIKey
XDRRPGXVSUVWGM-UHFFFAOYSA-N
Canonic Smiles
NC1=NC(n2c(N1)nc1c2cccc1)c1ccccn1
Isomeric Smiles
n12c(NC(=NC1c1ncccc1)N)nc1c2cccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.52936476
LogD (pH = 7.4)
1.9534867
Log P
2.1832092
Molar Refractivity
74.8247
Polarizability
29.28336
Polar Surface Area
81.12
Rotatable Bonds
1
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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