Molecule

ID:117521

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrClNO₂S
Molecular Mass
270.5314
Exact Mass
268.89128909
Charge
0
InChI
InChI=1S/C6H5BrClNO2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3
InChIKey
IAUOQHXDFFIRLP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc(sc1Br)Cl
Isomeric Smiles
c1(c(sc(n1)Cl)Br)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0269368
LogD (pH = 7.4)
3.0269368
Log P
3.0269368
Molar Refractivity
49.4769
Polarizability
19.683481
Polar Surface Area
39.19
Rotatable Bonds
3
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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