Molecule

ID:41902

General Information
Structure
Molecular Formula
C₁₂H₁₀N₄
Molecular Mass
210.2346
Exact Mass
210.09054634
Charge
0
InChI
InChI=1S/C12H10N4/c13-11-10-9(8-4-2-1-3-5-8)6-7-14-12(10)16-15-11/h1-7H,(H3,13,14,15,16)
InChIKey
GFHKPJCWBZMRSN-UHFFFAOYSA-N
Canonic Smiles
Nc1n[nH]c2c1c(ccn2)c1ccccc1
Isomeric Smiles
c12c(n[nH]c1nccc2c1ccccc1)N
Calculated Properties
JChem
Acid pKa
14.261965
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8555623
LogD (pH = 7.4)
1.8588126
Log P
1.8588543
Molar Refractivity
64.0189
Polarizability
25.223183
Polar Surface Area
67.59
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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