Molecule

ID:69187

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrClNS
Molecular Mass
248.52742
Exact Mass
246.88580978
Charge
0
InChI
InChI=1S/C7H3BrClNS/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H
InChIKey
CQHUAYKIQCBOKY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)nc(s2)Cl
Isomeric Smiles
s1c(nc2c1ccc(c2)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7962372
LogD (pH = 7.4)
3.7962387
Log P
3.7962387
Molar Refractivity
49.7774
Polarizability
20.459747
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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