[(E)-[amino(pyridin-4-yl)methylidene]amino] 4-bromobenzenesulfonate
Formula:C12H10N3O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyridin-4-yl)methylidene]amino] 4-bromobenzenesulfonate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-4-yl)methylidene]amino] 4-bromobenzenesulfonate |
| MolecularFormula | C12H10N3O3BrS |
| Smiles | N/C(/c1ccncc1)=N/OS(c(cc1)ccc1Br)(=O)=O |
| InChI | InChI=1S/C12H10BrN3O3S/c13-10-1-3-11(4-2-10)20(17,18)19-16-12(14)9-5-7-15-8-6-9/h1-8H,(H2,14,16) |
| InChIK | WOHYBDHDSUHELX-UHFFFAOYSA-N |
| TotalMolweight | 356.199 |
| Molweight | 356.199 |
| MonoisotopicMass | 354.962623 |
| CLogP | 3.0209 |
| CLogS | -2.648 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 220.48 |
| Relative PSA | 0.3462 |
| PolarSurfaceArea | 103.02 |
| Druglikeness | -2.1415 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino(pyridin-4-yl)methylidene]amino] 4-bromobenzenesulfonate | 2 - [(E)-[amino(pyridin-4-yl)methylidene]amino] 4-bromobenzenesulfonate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off