Molecule

ID:23774

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClNO
Molecular Mass
220.45112
Exact Mass
218.9086534
Charge
0
InChI
InChI=1S/C6H3BrClNO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H
InChIKey
YGPYNLZCNDPHTQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)cnc1Cl
Isomeric Smiles
c1(c(ncc(c1)Br)Cl)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0610502
LogD (pH = 7.4)
2.0610502
Log P
2.0610502
Molar Refractivity
43.974
Polarizability
16.32489
Polar Surface Area
29.96
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