N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
Formula:C19H15N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide |
| MolecularFormula | C19H15N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(Cc2ccccc2)=O)o1)=O |
| InChI | InChI=1S/C19H15N3O4/c23-19(12-14-4-2-1-3-5-14)21-20-13-17-10-11-18(26-17)15-6-8-16(9-7-15)22(24)25/h1-11,13H,12H2,(H,21,23) |
| InChIK | MMRCYJSCKXDLSJ-UHFFFAOYSA-N |
| TotalMolweight | 349.345 |
| Molweight | 349.345 |
| MonoisotopicMass | 349.106257 |
| CLogP | 3.217 |
| CLogS | -5.606 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 273.87 |
| Relative PSA | 0.29408 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | 1.3926 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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