(4-bromophenyl) (E)-N-(2-chloro-5-nitrophenyl)sulfonylbenzenecarboximidothioate
Formula:C19H12N2O4BrClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-bromophenyl) (E)-N-(2-chloro-5-nitrophenyl)sulfonylbenzenecarboximidothioate is not a drug-like molecule.
| MolName | (4-bromophenyl) (E)-N-(2-chloro-5-nitrophenyl)sulfonylbenzenecarboximidothioate |
| MolecularFormula | C19H12N2O4BrClS2 |
| Smiles | [O-][N+](c(cc1)cc(S(/N=C(\c2ccccc2)/Sc(cc2)ccc2Br)(=O)=O)c1Cl)=O |
| InChI | InChI=1S/C19H12BrClN2O4S2/c20-14-6-9-16(10-7-14)28-19(13-4-2-1-3-5-13)22-29(26,27)18-12-15(23(24)25)8-11-17(18)21/h1-12H |
| InChIK | SRFFXOQKWYZFOG-UHFFFAOYSA-N |
| TotalMolweight | 511.803 |
| Molweight | 511.803 |
| MonoisotopicMass | 509.911036 |
| CLogP | 4.6223 |
| CLogS | -7.395 |
| H Acceptors | 6 |
| TotalSurfaceArea | 319.54 |
| Relative PSA | 0.2754 |
| PolarSurfaceArea | 126 |
| Druglikeness | -6.9224 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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