5-chloro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
Formula:C16H10N3O4ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-chloro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | 5-chloro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C16H10N3O4ClS |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(c(s2)ccc2Cl)=O)o1)=O |
| InChI | InChI=1S/C16H10ClN3O4S/c17-15-8-7-14(25-15)16(21)19-18-9-12-5-6-13(24-12)10-1-3-11(4-2-10)20(22)23/h1-9H,(H,19,21) |
| InChIK | RCTZPLPWGASQKK-UHFFFAOYSA-N |
| TotalMolweight | 375.791 |
| Molweight | 375.791 |
| MonoisotopicMass | 375.008054 |
| CLogP | 3.8962 |
| CLogS | -6.404 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 271.47 |
| Relative PSA | 0.37168 |
| PolarSurfaceArea | 128.66 |
| Druglikeness | 2.4732 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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