N-(3-nitrophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide
Formula:C15H14N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-nitrophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide is a drug-like molecule.
| MolName | N-(3-nitrophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide |
| MolecularFormula | C15H14N4O4S |
| Smiles | [O-][N+](c1cccc(NC(CCC(N/N=C\c2cccs2)=O)=O)c1)=O |
| InChI | InChI=1S/C15H14N4O4S/c20-14(17-11-3-1-4-12(9-11)19(22)23)6-7-15(21)18-16-10-13-5-2-8-24-13/h1-5,8-10H,6-7H2,(H,17,20)(H,18,21) |
| InChIK | FYRRJIFTXHCOBN-UHFFFAOYSA-N |
| TotalMolweight | 346.366 |
| Molweight | 346.366 |
| MonoisotopicMass | 346.073576 |
| CLogP | 1.9977 |
| CLogS | -4.535 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 263.33 |
| Relative PSA | 0.42263 |
| PolarSurfaceArea | 144.62 |
| Druglikeness | 0.17354 |
| 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 | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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