Molecule

ID:114043

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₄
Molecular Mass
210.2346
Exact Mass
210.09054634
Charge
0
InChI
InChI=1S/C12H10N4/c13-11-10(9-5-2-1-3-6-9)15-12-14-7-4-8-16(11)12/h1-8H,13H2
InChIKey
FOJZDMGNAKIZQC-UHFFFAOYSA-N
Canonic Smiles
Nc1c(nc2n1cccn2)c1ccccc1
Isomeric Smiles
n12c(nc(c1N)c1ccccc1)nccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0861633
LogD (pH = 7.4)
1.100549
Log P
1.1007357
Molar Refractivity
63.5075
Polarizability
24.516317
Polar Surface Area
56.21
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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