Molecule

ID:60952

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₄
Molecular Mass
210.2346
Exact Mass
210.09054634
Charge
0
InChI
InChI=1S/C12H10N4/c13-12-14-6-5-11(16-12)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H,(H2,13,14,16)
InChIKey
QNMZWFNNJMGJPU-UHFFFAOYSA-N
Canonic Smiles
Nc1nccc(n1)c1c[nH]c2c1cccc2
Isomeric Smiles
c1(c[nH]c2c1cccc2)c1nc(ncc1)N
Calculated Properties
JChem
Acid pKa
14.745623
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0240324
LogD (pH = 7.4)
2.0313392
Log P
2.031433
Molar Refractivity
63.2194
Polarizability
25.935345
Polar Surface Area
67.59
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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