Molecule

ID:53259

General Information
Structure
MolImage
Molecular Formula
C₃H₃BrN₂S₂
Molecular Mass
211.10332
Exact Mass
209.89210211
Charge
0
InChI
InChI=1S/C3H3BrN2S2/c1-7-3-5-2(4)6-8-3/h1H3
InChIKey
SLMCXSVDKBFAAZ-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(ns1)Br
Isomeric Smiles
c1(nc(ns1)Br)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.704115
LogD (pH = 7.4)
2.704115
Log P
2.704115
Molar Refractivity
41.4094
Polarizability
15.386832
Polar Surface Area
25.78
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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