Molecule

ID:70208

General Information
Structure
MolImage
Molecular Formula
C₈H₄N₂
Molecular Mass
128.13076
Exact Mass
128.03744814
Charge
0
InChI
InChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H
InChIKey
BHXFKXOIODIUJO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)C#N
Isomeric Smiles
c1(ccc(cc1)C#N)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6854382
LogD (pH = 7.4)
1.6854382
Log P
1.6854382
Molar Refractivity
37.5012
Polarizability
13.987609
Polar Surface Area
47.58
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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