Molecule

ID:65552

General Information
Structure
MolImage
Molecular Formula
C₇H₄N₄
Molecular Mass
144.13346
Exact Mass
144.04359615
Charge
0
InChI
InChI=1S/C7H4N4/c8-2-5-1-6-4-10-11-7(6)9-3-5/h1,3-4H,(H,9,10,11)
InChIKey
UEWIETUNZIVFLI-UHFFFAOYSA-N
Canonic Smiles
c1c(cnc2c1cn[nH]2)C#N
Isomeric Smiles
c1(cnc2c(c1)cn[nH]2)C#N
Calculated Properties
JChem
Acid pKa
10.302344
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.30216366
LogD (pH = 7.4)
0.30166295
Log P
0.3021935
Molar Refractivity
39.5904
Polarizability
14.916654
Polar Surface Area
65.36
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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