Molecule

ID:73616

General Information
Structure
MolImage
Molecular Formula
C₈H₆BrN
Molecular Mass
196.04394
Exact Mass
194.9683612
Charge
0
InChI
InChI=1S/C8H6BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChIKey
MFHFWRBXPQDZSA-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)Br
Isomeric Smiles
N#CCc1ccc(cc1)Br
Calculated Properties
JChem
Acid pKa
14.095216
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4376955
LogD (pH = 7.4)
2.4376955
Log P
2.4376955
Molar Refractivity
43.9677
Polarizability
16.633423
Polar Surface Area
23.79
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