Molecule

ID:87989

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrNS
Molecular Mass
254.14622
Exact Mass
252.95608226
Charge
0
InChI
InChI=1S/C10H8BrNS/c1-7-12-9(10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
YBIVQJKFCJWQSA-UHFFFAOYSA-N
Canonic Smiles
Cc1sc(c(n1)c1ccccc1)Br
Isomeric Smiles
n1c(sc(c1c1ccccc1)Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.722886
LogD (pH = 7.4)
3.722927
Log P
3.7229276
Molar Refractivity
57.254
Polarizability
23.56122
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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