2-(3-nitroanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C13H12N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-nitroanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-nitroanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C13H12N4O3S |
| Smiles | [O-][N+](c1cccc(NCC(N/N=C\c2cccs2)=O)c1)=O |
| InChI | InChI=1S/C13H12N4O3S/c18-13(16-15-8-12-5-2-6-21-12)9-14-10-3-1-4-11(7-10)17(19)20/h1-8,14H,9H2,(H,16,18) |
| InChIK | VBZQQHIIUZXLGT-UHFFFAOYSA-N |
| TotalMolweight | 304.329 |
| Molweight | 304.329 |
| MonoisotopicMass | 304.063011 |
| CLogP | 1.4385 |
| CLogS | -4.013 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 231.82 |
| Relative PSA | 0.42382 |
| PolarSurfaceArea | 127.55 |
| Druglikeness | 1.4619 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(3-nitroanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(3-nitroanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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