Molecule

ID:39943

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₄
Molecular Mass
210.2346
Exact Mass
210.09054634
Charge
0
InChI
InChI=1S/C12H10N4/c1-3-11(16-8-7-13-9-16)4-2-10(1)12-5-6-14-15-12/h1-9H,(H,14,15)
InChIKey
UFXSELGOGDVWDO-UHFFFAOYSA-N
Canonic Smiles
n1ccn(c1)c1ccc(cc1)c1[nH]ncc1
Isomeric Smiles
n1(cncc1)c1ccc(c2[nH]ncc2)cc1
Calculated Properties
JChem
Acid pKa
13.647681
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.39567044
LogD (pH = 7.4)
0.9989212
Log P
1.0369
Molar Refractivity
72.7075
Polarizability
25.217028
Polar Surface Area
46.5
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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