Molecule

ID:83153

General Information
Structure
Molecular Formula
C₁₀H₈BrNO₂S₂
Molecular Mass
318.21002
Exact Mass
316.9179825
Charge
0
InChI
InChI=1S/C10H8BrNO2S2/c1-2-14-10(13)6-5-15-9(12-6)7-3-4-8(11)16-7/h3-5H,2H2,1H3
InChIKey
UQDNCYJCQLXMOK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)c1ccc(s1)Br
Isomeric Smiles
n1c(c2ccc(s2)Br)scc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9148405
LogD (pH = 7.4)
3.9148407
Log P
3.9148407
Molar Refractivity
76.4425
Polarizability
26.35893
Polar Surface Area
39.19
Rotatable Bonds
4
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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