Molecule

ID:64152

General Information
Structure
Molecular Formula
C₄H₄BrNS₂
Molecular Mass
210.11526
Exact Mass
208.89685313
Charge
0
InChI
InChI=1S/C4H4BrNS2/c1-7-4-6-3(5)2-8-4/h2H,1H3
InChIKey
YGCKEBOZMZSIDW-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(cs1)Br
Isomeric Smiles
n1c(scc1Br)SC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9187799
LogD (pH = 7.4)
2.9187803
Log P
2.9187803
Molar Refractivity
41.9636
Polarizability
16.06568
Polar Surface Area
12.89
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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