Molecule

ID:8513

General Information
Structure
MolImage
Molecular Formula
C₄H₃BrS
Molecular Mass
163.03562
Exact Mass
161.9138831
Charge
0
InChI
InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H
InChIKey
XCMISAPCWHTVNG-UHFFFAOYSA-N
Canonic Smiles
Brc1cscc1
Isomeric Smiles
c1(ccsc1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.5224404
LogD (pH = 7.4)
2.5224404
Log P
2.5224404
Molar Refractivity
30.7866
Polarizability
11.938102
Polar Surface Area
0.0
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
References
Bioactivity
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