Molecule

ID:78014

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
InChIKey
JEDXDYXIRZOEKG-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(cc1)C#N
Isomeric Smiles
N(c1ccc(cc1)C#N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3017539
LogD (pH = 7.4)
1.3021156
Log P
1.3021201
Molar Refractivity
41.9734
Polarizability
15.144029
Polar Surface Area
35.82
Rotatable Bonds
1
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