4-bromo-N-[(Z)-(3-nitrophenyl)methylideneamino]benzenesulfonamide
Formula:C13H10N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(3-nitrophenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(3-nitrophenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C13H10N3O4BrS |
| Smiles | [O-][N+](c1cccc(/C=N\NS(c(cc2)ccc2Br)(=O)=O)c1)=O |
| InChI | InChI=1S/C13H10BrN3O4S/c14-11-4-6-13(7-5-11)22(20,21)16-15-9-10-2-1-3-12(8-10)17(18)19/h1-9,16H |
| InChIK | GASXDUZZCCZTEP-UHFFFAOYSA-N |
| TotalMolweight | 384.209 |
| Molweight | 384.209 |
| MonoisotopicMass | 382.957538 |
| CLogP | 2.0807 |
| CLogS | -3.21 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 240.12 |
| Relative PSA | 0.34137 |
| PolarSurfaceArea | 112.73 |
| Druglikeness | -4.6354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-bromo-N-[(Z)-(3-nitrophenyl)methylideneamino]benzenesulfonamide | 2 - 4-bromo-N-[(Z)-(3-nitrophenyl)methylideneamino]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off