N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiophene-2-carboxamide
Formula:C23H17N2O2FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C23H17N2O2FS |
| Smiles | O=C(c1cccs1)N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1F |
| InChI | InChI=1S/C23H17FN2O2S/c24-18-10-7-16(8-11-18)15-28-21-12-9-17-4-1-2-5-19(17)20(21)14-25-26-23(27)22-6-3-13-29-22/h1-14H,15H2,(H,26,27) |
| InChIK | BPORFJVRYKDJLJ-UHFFFAOYSA-N |
| TotalMolweight | 404.464 |
| Molweight | 404.464 |
| MonoisotopicMass | 404.099476 |
| CLogP | 5.7115 |
| CLogS | -6.992 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 307.4 |
| Relative PSA | 0.21591 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 4.5687 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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