5-chloro-2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline
Formula:C11H8N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-chloro-2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | 5-chloro-2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline |
| MolecularFormula | C11H8N3O2ClS |
| Smiles | [O-][N+](c(ccc(Cl)c1)c1N/N=C\c1cccs1)=O |
| InChI | InChI=1S/C11H8ClN3O2S/c12-8-3-4-11(15(16)17)10(6-8)14-13-7-9-2-1-5-18-9/h1-7,14H |
| InChIK | BWUFIHVCRJIXQG-UHFFFAOYSA-N |
| TotalMolweight | 281.723 |
| Molweight | 281.723 |
| MonoisotopicMass | 281.002574 |
| CLogP | 4.3919 |
| CLogS | -4.355 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 204.27 |
| Relative PSA | 0.36104 |
| PolarSurfaceArea | 98.45 |
| Druglikeness | -1.098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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