Molecule

ID:108182

General Information
Structure
MolImage
Molecular Formula
C₈H₆N₂O
Molecular Mass
146.14604
Exact Mass
146.04801282
Charge
0
InChI
InChI=1S/C8H6N2O/c9-6-10(7-11)8-4-2-1-3-5-8/h1-5,7H
InChIKey
UFLMFAGALQZNOV-UHFFFAOYSA-N
Canonic Smiles
O=CN(c1ccccc1)C#N
Isomeric Smiles
O=CN(C#N)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.00684
LogD (pH = 7.4)
1.00684
Log P
1.00684
Molar Refractivity
40.5053
Polarizability
15.046524
Polar Surface Area
44.1
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