N-[(Z)-(4-nitrophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Formula:C15H11N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide |
| MolecularFormula | C15H11N5O3S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2n[nH]c(-c3cccs3)c2)=O)cc1)=O |
| InChI | InChI=1S/C15H11N5O3S/c21-15(13-8-12(17-18-13)14-2-1-7-24-14)19-16-9-10-3-5-11(6-4-10)20(22)23/h1-9H,(H,17,18)(H,19,21) |
| InChIK | LSHOCQBABGGITP-UHFFFAOYSA-N |
| TotalMolweight | 341.35 |
| Molweight | 341.35 |
| MonoisotopicMass | 341.05826 |
| CLogP | 2.0013 |
| CLogS | -4.477 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 254.69 |
| Relative PSA | 0.43877 |
| PolarSurfaceArea | 144.2 |
| Druglikeness | 2.4541 |
| 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 | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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