Molecule

ID:111154

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₄
Molecular Mass
210.2346
Exact Mass
210.09054634
Charge
0
InChI
InChI=1S/C12H10N4/c1-3-7-13-11(5-1)9-15-16-10-12-6-2-4-8-14-12/h1-10H
InChIKey
DMQJTSJKMFPBMN-UHFFFAOYSA-N
Canonic Smiles
c1ccc(nc1)/C=N/N=C/c1ccccn1
Isomeric Smiles
c1ccc(/C=N/N=C/c2ccccn2)nc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.352197
LogD (pH = 7.4)
2.353977
Log P
2.3539996
Molar Refractivity
62.714
Polarizability
23.248207
Polar Surface Area
50.5
Rotatable Bonds
3
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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