N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
Formula:C16H10N2O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C16H10N2O2Cl2S |
| Smiles | O=C(c1cccs1)N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1 |
| InChI | InChI=1S/C16H10Cl2N2O2S/c17-10-3-5-12(13(18)8-10)14-6-4-11(22-14)9-19-20-16(21)15-2-1-7-23-15/h1-9H,(H,20,21) |
| InChIK | JMAXKKGJFFSPDR-UHFFFAOYSA-N |
| TotalMolweight | 365.239 |
| Molweight | 365.239 |
| MonoisotopicMass | 363.984002 |
| CLogP | 5.2191 |
| CLogS | -6.663 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 263.22 |
| Relative PSA | 0.26776 |
| PolarSurfaceArea | 82.84 |
| Druglikeness | 7.837 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| StereoCon |
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