Molecule

ID:101502

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)8-4-2-3-5-9(8)11/h2-6H,1H3
InChIKey
SXJQVZDDCODIST-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(n1)c1ccccc1Br
Isomeric Smiles
c1(nc(sc1)C)c1c(Br)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.556507
LogD (pH = 7.4)
3.5569263
Log P
3.5569317
Molar Refractivity
58.0941
Polarizability
23.519438
Polar Surface Area
12.89
Rotatable Bonds
1
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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