Molecule

ID:58878

General Information
Structure
MolImage
Molecular Formula
C₉H₄BrClOS
Molecular Mass
275.54946
Exact Mass
273.88547543
Charge
0
InChI
InChI=1S/C9H4BrClOS/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H
InChIKey
HVEBUAQFGDUWGP-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1sc2c(c1)c(Br)ccc2
Isomeric Smiles
c1(cc2c(s1)cccc2Br)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9413753
LogD (pH = 7.4)
3.9413753
Log P
3.9413753
Molar Refractivity
57.9197
Polarizability
23.113829
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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