Molecule

ID:118004

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrNOS
Molecular Mass
270.14562
Exact Mass
268.95099688
Charge
0
InChI
InChI=1S/C10H8BrNOS/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9/h2-6H,1H3
InChIKey
FBYVCEPGVMXUCI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1csc(n1)Br
Isomeric Smiles
n1c(csc1Br)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5715094
LogD (pH = 7.4)
3.57151
Log P
3.57151
Molar Refractivity
60.1186
Polarizability
24.410618
Polar Surface Area
22.12
Rotatable Bonds
2
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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