Molecule

ID:70583

General Information
Structure
MolImage
Molecular Formula
C₈H₄N₂
Molecular Mass
128.13076
Exact Mass
128.03744814
Charge
0
InChI
InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H
InChIKey
XQZYPMVTSDWCCE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1C#N
Isomeric Smiles
C(#N)c1c(C#N)cccc1
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
13.990522
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation