Molecule

ID:64891

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrClNS
Molecular Mass
248.52742
Exact Mass
246.88580978
Charge
0
InChI
InChI=1S/C7H3BrClNS/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1-3H
InChIKey
QPGCPWZFCLBFCG-UHFFFAOYSA-N
Canonic Smiles
Brc1sc2c(c1)c(Cl)ncc2
Isomeric Smiles
n1ccc2sc(cc2c1Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3905685
LogD (pH = 7.4)
3.3905687
Log P
3.3905687
Molar Refractivity
49.89
Polarizability
20.434843
Polar Surface Area
12.89
Rotatable Bonds
0
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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