Molecule

ID:77176

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrNS
Molecular Mass
254.14622
Exact Mass
252.95608226
Charge
0
InChI
InChI=1S/C10H8BrNS/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKey
OHDZDHHETRGNRY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)c1csc(n1)C
Isomeric Smiles
n1c(scc1c1ccc(cc1)Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.556461
LogD (pH = 7.4)
3.5569258
Log P
3.5569317
Molar Refractivity
58.0941
Polarizability
23.51313
Polar Surface Area
12.89
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
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Molecule Details
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References
Bioactivity
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