Molecule

ID:58881

General Information
Structure
MolImage
Molecular Formula
C₉H₄BrNS
Molecular Mass
238.10376
Exact Mass
236.92478213
Charge
0
InChI
InChI=1S/C9H4BrNS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4H
InChIKey
HPAHLXFGKIUPEF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1sc2c(c1)c(Br)ccc2
Isomeric Smiles
c12c(sc(c1)C#N)cccc2Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6065588
LogD (pH = 7.4)
3.6065588
Log P
3.6065588
Molar Refractivity
52.5266
Polarizability
21.081882
Polar Surface Area
23.79
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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