(4-chlorophenyl) (2E)-N-(4-nitrophenyl)thiophene-2-carbohydrazonate
Formula:C17H12N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-chlorophenyl) (2E)-N-(4-nitrophenyl)thiophene-2-carbohydrazonate is not a drug-like molecule.
| MolName | (4-chlorophenyl) (2E)-N-(4-nitrophenyl)thiophene-2-carbohydrazonate |
| MolecularFormula | C17H12N3O3ClS |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C(\c1cccs1)/Oc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C17H12ClN3O3S/c18-12-3-9-15(10-4-12)24-17(16-2-1-11-25-16)20-19-13-5-7-14(8-6-13)21(22)23/h1-11,19H |
| InChIK | FCIPJDJZEJKTIZ-UHFFFAOYSA-N |
| TotalMolweight | 373.819 |
| Molweight | 373.819 |
| MonoisotopicMass | 373.028789 |
| CLogP | 5.8891 |
| CLogS | -5.501 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 272.24 |
| Relative PSA | 0.30763 |
| PolarSurfaceArea | 107.68 |
| Druglikeness | -1.931 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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