Molecule

ID:12900

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₄
Molecular Mass
210.2346
Exact Mass
210.09054634
Charge
0
InChI
InChI=1S/C12H10N4/c13-9-6-7-11-12(8-9)15-16(14-11)10-4-2-1-3-5-10/h1-8H,13H2
InChIKey
NIOQXFRLZIIVCT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nn(n2)c1ccccc1
Isomeric Smiles
c1(ccc2c(c1)nn(n2)c1ccccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2195346
LogD (pH = 7.4)
2.2201917
Log P
2.2202
Molar Refractivity
74.0742
Polarizability
25.224243
Polar Surface Area
56.73
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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