Molecule

ID:92581

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₄
Molecular Mass
184.19732
Exact Mass
184.07489628
Charge
0
InChI
InChI=1S/C10H8N4/c11-5-9-2-1-3-10(4-9)6-14-8-12-7-13-14/h1-4,7-8H,6H2
InChIKey
ZYQNZNVPCHZDLT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)Cn1cncn1
Isomeric Smiles
n1cncn1Cc1cc(ccc1)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.294933
LogD (pH = 7.4)
1.2951528
Log P
1.2951555
Molar Refractivity
64.4697
Polarizability
19.436586
Polar Surface Area
54.5
Rotatable Bonds
2
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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