N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3-chlorobenzamide
Formula:C12H8N2OBrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3-chlorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3-chlorobenzamide |
| MolecularFormula | C12H8N2OBrClS |
| Smiles | O=C(c1cc(Cl)ccc1)N/N=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C12H8BrClN2OS/c13-9-5-11(18-7-9)6-15-16-12(17)8-2-1-3-10(14)4-8/h1-7H,(H,16,17) |
| InChIK | YRNAHRMSPVAOKQ-UHFFFAOYSA-N |
| TotalMolweight | 343.632 |
| Molweight | 343.632 |
| MonoisotopicMass | 341.922921 |
| CLogP | 4.3994 |
| CLogS | -5.301 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 216.98 |
| Relative PSA | 0.25979 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 0.18306 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3-chlorobenzamide | 2 - N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3-chlorobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off