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[(E)-N-(4-bromophenyl)sulfonyl-C-phenylcarbonimidoyl]sulfanyl (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate

Formula:C26H18N2O4Br2S4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-N-(4-bromophenyl)sulfonyl-C-phenylcarbonimidoyl]sulfanyl (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate is not a drug-like molecule.
MolName[(E)-N-(4-bromophenyl)sulfonyl-C-phenylcarbonimidoyl]sulfanyl (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate
MolecularFormulaC26H18N2O4Br2S4
SmilesO=S(c(cc1)ccc1Br)(/N=C(\c1ccccc1)/SS/C(/c1ccccc1)=N/S(c(cc1)ccc1Br)(=O)=O)=O
InChIInChI=1S/C26H18Br2N2O4S4/c27-21-11-15-23(16-12-21)37(31,32)29-25(19-7-3-1-4-8-19)35-36-26(20-9-5-2-6-10-20)30-38(33,34)24-17-13-22(28)14-18-24/h1-18H
InChIKRZFKFTQKHNPYKP-UHFFFAOYSA-N
TotalMolweight710.511
Molweight710.511
MonoisotopicMass707.85161
CLogP6.997
CLogS-9.294
H Acceptors6
TotalSurfaceArea427.88
Relative PSA0.26914
PolarSurfaceArea160.36
Druglikeness-0.6655
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.47368
Fragments1
Non HAtoms38
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms4
Symmetricatoms24
StereoCon

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