N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-2-quinolin-2-ylsulfanylacetamide
Formula:C18H14N4O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-2-quinolin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-2-quinolin-2-ylsulfanylacetamide |
| MolecularFormula | C18H14N4O4S |
| Smiles | [O-][N+](c1ccc(/C=C/C=N\NC(CSc2nc3ccccc3cc2)=O)o1)=O |
| InChI | InChI=1S/C18H14N4O4S/c23-16(12-27-17-9-7-13-4-1-2-6-15(13)20-17)21-19-11-3-5-14-8-10-18(26-14)22(24)25/h1-11H,12H2,(H,21,23) |
| InChIK | ZVYITBUGMPXPHK-UHFFFAOYSA-N |
| TotalMolweight | 382.399 |
| Molweight | 382.399 |
| MonoisotopicMass | 382.073576 |
| CLogP | 2.4646 |
| CLogS | -5.691 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 291.46 |
| Relative PSA | 0.37398 |
| PolarSurfaceArea | 138.61 |
| Druglikeness | 1.5193 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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