N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H11N3O2BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H11N3O2BrClS |
| Smiles | O=C(c1cnccc1)N/N=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C17H11BrClN3O2S/c18-15-8-13(10-21-22-16(23)11-2-1-7-20-9-11)24-17(15)25-14-5-3-12(19)4-6-14/h1-10H,(H,22,23) |
| InChIK | LNASOWMFCJAKBG-UHFFFAOYSA-N |
| TotalMolweight | 436.716 |
| Molweight | 436.716 |
| MonoisotopicMass | 434.944385 |
| CLogP | 4.6391 |
| CLogS | -5.727 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.74 |
| Relative PSA | 0.27405 |
| PolarSurfaceArea | 92.79 |
| Druglikeness | -0.5949 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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