Molecule

ID:28425

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₄
Molecular Mass
210.2346
Exact Mass
210.09054634
Charge
0
InChI
InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2
InChIKey
VZPGINJWPPHRLS-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2nc3ccccc3nc2cc1N
Isomeric Smiles
n1c2c(nc3c1cccc3)cc(c(c2)N)N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.3686314
LogD (pH = 7.4)
1.4019612
Log P
1.4024038
Molar Refractivity
62.5574
Polarizability
25.937067
Polar Surface Area
77.82
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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