Molecule

ID:16279

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrClN
Molecular Mass
192.44102
Exact Mass
190.91373878
Charge
0
InChI
InChI=1S/C5H3BrClN/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey
BELDOPUBSLPBCQ-UHFFFAOYSA-N
Canonic Smiles
Clc1cncc(c1)Br
Isomeric Smiles
c1(cncc(c1)Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1283207
LogD (pH = 7.4)
2.12837
Log P
2.1283708
Molar Refractivity
36.3287
Polarizability
14.29433
Polar Surface Area
12.89
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