N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
Formula:C23H17N2O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide |
| MolecularFormula | C23H17N2O2ClS |
| Smiles | O=C(CSc1cccc2ccccc12)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 |
| InChI | InChI=1S/C23H17ClN2O2S/c24-18-8-3-7-17(13-18)21-12-11-19(28-21)14-25-26-23(27)15-29-22-10-4-6-16-5-1-2-9-20(16)22/h1-14H,15H2,(H,26,27) |
| InChIK | ZCERTHOXFBCVDE-UHFFFAOYSA-N |
| TotalMolweight | 420.919 |
| Molweight | 420.919 |
| MonoisotopicMass | 420.069925 |
| CLogP | 6.1537 |
| CLogS | -8.065 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 317.71 |
| Relative PSA | 0.2128 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | 6.8557 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| 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 |
| StereoCon |
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