Molecule

ID:68712

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrS
Molecular Mass
177.0622
Exact Mass
175.92953316
Charge
0
InChI
InChI=1S/C5H5BrS/c1-4-5(6)2-3-7-4/h2-3H,1H3
InChIKey
DFTNCGRDYHINDS-UHFFFAOYSA-N
Canonic Smiles
Brc1ccsc1C
Isomeric Smiles
c1(c(ccs1)Br)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.168301
LogD (pH = 7.4)
3.168301
Log P
3.168301
Molar Refractivity
35.8429
Polarizability
13.657527
Polar Surface Area
0.0
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
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Molecule Details
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References
Bioactivity
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