N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-3-nitrobenzamide
Formula:C12H8N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-3-nitrobenzamide |
| MolecularFormula | C12H8N3O3ClS |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c(s2)ccc2Cl)=O)c1)=O |
| InChI | InChI=1S/C12H8ClN3O3S/c13-11-5-4-10(20-11)7-14-15-12(17)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,15,17) |
| InChIK | VLZWNONIOPPJLS-UHFFFAOYSA-N |
| TotalMolweight | 309.733 |
| Molweight | 309.733 |
| MonoisotopicMass | 308.997489 |
| CLogP | 2.9573 |
| CLogS | -4.944 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 222.02 |
| Relative PSA | 0.39091 |
| PolarSurfaceArea | 115.52 |
| Druglikeness | 0.54356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| 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 | 11 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-3-nitrobenzamide | 2 - N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-3-nitrobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off