N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
Formula:C14H11N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]thiophene-2-carboxamide |
| MolecularFormula | C14H11N3O3S |
| Smiles | [O-][N+](c1ccc(/C=C/C=N\NC(c2cccs2)=O)cc1)=O |
| InChI | InChI=1S/C14H11N3O3S/c18-14(13-4-2-10-21-13)16-15-9-1-3-11-5-7-12(8-6-11)17(19)20/h1-10H,(H,16,18) |
| InChIK | GMGMYJIETWLNHE-UHFFFAOYSA-N |
| TotalMolweight | 301.325 |
| Molweight | 301.325 |
| MonoisotopicMass | 301.052112 |
| CLogP | 2.1649 |
| CLogS | -4.483 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 233.1 |
| Relative PSA | 0.37233 |
| PolarSurfaceArea | 115.52 |
| Druglikeness | 1.1026 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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