N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-thiophen-2-ylacetamide
Formula:C17H12N3O4ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-thiophen-2-ylacetamide is a drug-like molecule.
| MolName | N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-thiophen-2-ylacetamide |
| MolecularFormula | C17H12N3O4ClS |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N/NC(Cc3cccs3)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C17H12ClN3O4S/c18-15-5-3-11(21(23)24)8-14(15)16-6-4-12(25-16)10-19-20-17(22)9-13-2-1-7-26-13/h1-8,10H,9H2,(H,20,22) |
| InChIK | WXGCNLWKQOWSAF-UHFFFAOYSA-N |
| TotalMolweight | 389.818 |
| Molweight | 389.818 |
| MonoisotopicMass | 389.023704 |
| CLogP | 3.6896 |
| CLogS | -6.352 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 285.23 |
| Relative PSA | 0.35375 |
| PolarSurfaceArea | 128.66 |
| Druglikeness | 2.794 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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