Molecule

ID:14987

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrS
Molecular Mass
177.0622
Exact Mass
175.92953316
Charge
0
InChI
InChI=1S/C5H5BrS/c1-4-2-3-7-5(4)6/h2-3H,1H3
InChIKey
YYJBWYBULYUKMR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccsc1Br
Isomeric Smiles
c1c(c(sc1)Br)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2018578
LogD (pH = 7.4)
3.2018578
Log P
3.2018578
Molar Refractivity
34.9877
Polarizability
13.685187
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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