Molecule

ID:6818

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrClN
Molecular Mass
206.4676
Exact Mass
204.92938885
Charge
0
InChI
InChI=1S/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKey
INMZDDDQLHKGPF-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)Cl)N
Isomeric Smiles
c1cc(cc(c1N)Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.516841
LogD (pH = 7.4)
2.5171137
Log P
2.5171173
Molar Refractivity
43.186
Polarizability
16.244553
Polar Surface Area
26.02
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