Molecule

ID:8508

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrS
Molecular Mass
203.09948
Exact Mass
201.94518322
Charge
0
InChI
InChI=1S/C7H7BrS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey
NKYFJZAKUPSUSH-UHFFFAOYSA-N
Canonic Smiles
CSc1cccc(c1)Br
Isomeric Smiles
c1cc(cc(c1)SC)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3702157
LogD (pH = 7.4)
3.3702157
Log P
3.3702157
Molar Refractivity
46.4397
Polarizability
17.95087
Polar Surface Area
0.0
Rotatable Bonds
1
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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