Molecule

ID:87250

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrNS
Molecular Mass
214.08236
Exact Mass
212.92478213
Charge
0
InChI
InChI=1S/C7H4BrNS/c8-6-4-10-7-3-9-2-1-5(6)7/h1-4H
InChIKey
YTWCEXXHTNFGKR-UHFFFAOYSA-N
Canonic Smiles
Brc1csc2c1ccnc2
Isomeric Smiles
n1ccc2c(c1)scc2Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.399634
LogD (pH = 7.4)
2.4003417
Log P
2.4003508
Molar Refractivity
44.864
Polarizability
18.371162
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
No Data Available
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Molecule Details
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References
Bioactivity
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