(NZ)-N-(3-bromo-5-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
Formula:C12H7NO3BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-(3-bromo-5-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-(3-bromo-5-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide |
| MolecularFormula | C12H7NO3BrClS |
| Smiles | O=C(C(Cl)=C1)C(Br)=C/C1=N\S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C12H7BrClNO3S/c13-10-6-8(7-11(14)12(10)16)15-19(17,18)9-4-2-1-3-5-9/h1-7H |
| InChIK | KSEVDEPQKVOEAT-UHFFFAOYSA-N |
| TotalMolweight | 360.615 |
| Molweight | 360.615 |
| MonoisotopicMass | 358.901852 |
| CLogP | 2.2566 |
| CLogS | -3.614 |
| H Acceptors | 4 |
| TotalSurfaceArea | 212.53 |
| Relative PSA | 0.24999 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | -14.878 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 2-halo-enone |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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