Molecule

ID:6832

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrClNS
Molecular Mass
248.52742
Exact Mass
246.88580978
Charge
0
InChI
InChI=1S/C7H3BrClNS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChIKey
NYJNWHXQEZOISL-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(c(c1)Cl)Br
Isomeric Smiles
c1cc(cc(c1Br)Cl)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3678675
LogD (pH = 7.4)
4.3678684
Log P
4.3678684
Molar Refractivity
55.5485
Polarizability
20.730764
Polar Surface Area
12.36
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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