Molecule

ID:16306

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrFN
Molecular Mass
200.0078232
Exact Mass
198.94328932
Charge
0
InChI
InChI=1S/C7H3BrFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKey
IELGUZKHALDFOO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)cccc1Br
Isomeric Smiles
C(#N)c1c(cccc1F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7407966
LogD (pH = 7.4)
2.7407966
Log P
2.7407966
Molar Refractivity
39.6188
Polarizability
14.821536
Polar Surface Area
23.79
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