Molecule

ID:42396

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₄
Molecular Mass
236.27188
Exact Mass
236.1061964
Charge
0
InChI
InChI=1S/C14H12N4/c15-18-13(11-7-3-1-4-8-11)16-17-14(18)12-9-5-2-6-10-12/h1-10H,15H2
InChIKey
DAZAXBYJPXKJJL-UHFFFAOYSA-N
Canonic Smiles
Nn1c(nnc1c1ccccc1)c1ccccc1
Isomeric Smiles
n1(c(nnc1c1ccccc1)c1ccccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9781821
LogD (pH = 7.4)
1.9782646
Log P
1.9782656
Molar Refractivity
95.327
Polarizability
27.980282
Polar Surface Area
56.73
Rotatable Bonds
2
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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