Molecule

ID:56802

General Information
Structure
MolImage
Molecular Formula
C₉H₃BrCl₂OS
Molecular Mass
309.99452
Exact Mass
307.84650308
Charge
0
InChI
InChI=1S/C9H3BrCl2OS/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H
InChIKey
LNZXWYBELLMGFQ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)sc(c2Cl)C(=O)Cl
Isomeric Smiles
c1(sc2c(c1Cl)ccc(c2)Br)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5454197
LogD (pH = 7.4)
4.5454197
Log P
4.5454197
Molar Refractivity
62.7245
Polarizability
25.117144
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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