(NZ)-4-bromo-N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
Formula:C12H7NO3Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-4-bromo-N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-4-bromo-N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide |
| MolecularFormula | C12H7NO3Br2S |
| Smiles | O=C(C=C1)C(Br)=C/C1=N\S(c(cc1)ccc1Br)(=O)=O |
| InChI | InChI=1S/C12H7Br2NO3S/c13-8-1-4-10(5-2-8)19(17,18)15-9-3-6-12(16)11(14)7-9/h1-7H |
| InChIK | AKXZKZXCCIGWTP-UHFFFAOYSA-N |
| TotalMolweight | 405.066 |
| Molweight | 405.066 |
| MonoisotopicMass | 402.851336 |
| CLogP | 2.5625 |
| CLogS | -3.757 |
| H Acceptors | 4 |
| TotalSurfaceArea | 217.53 |
| Relative PSA | 0.24424 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | -5.7215 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 2-halo-enone |
| Shape Index | 0.63158 |
| 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 |
Click to Load Molecule:
1 - (NZ)-4-bromo-N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide | 2 - (NZ)-4-bromo-N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off