N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H12N3O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H12N3O2ClS |
| Smiles | O=C(c1cnccc1)N/N=C\c(o1)ccc1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C17H12ClN3O2S/c18-13-3-6-15(7-4-13)24-16-8-5-14(23-16)11-20-21-17(22)12-2-1-9-19-10-12/h1-11H,(H,21,22) |
| InChIK | LMZHUGJQWWRNGS-UHFFFAOYSA-N |
| TotalMolweight | 357.82 |
| Molweight | 357.82 |
| MonoisotopicMass | 357.033874 |
| CLogP | 3.9139 |
| CLogS | -4.893 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 268.11 |
| Relative PSA | 0.29309 |
| PolarSurfaceArea | 92.79 |
| Druglikeness | 6.7151 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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