N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide
Formula:C25H19N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide |
| MolecularFormula | C25H19N3O4 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\NC(C(c3ccccc3)c3ccccc3)=O)o2)ccc1)=O |
| InChI | InChI=1S/C25H19N3O4/c29-25(24(18-8-3-1-4-9-18)19-10-5-2-6-11-19)27-26-17-22-14-15-23(32-22)20-12-7-13-21(16-20)28(30)31/h1-17,24H,(H,27,29) |
| InChIK | LERDXSSBXGMVIB-UHFFFAOYSA-N |
| TotalMolweight | 425.443 |
| Molweight | 425.443 |
| MonoisotopicMass | 425.137557 |
| CLogP | 4.7446 |
| CLogS | -6.755 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 332.37 |
| Relative PSA | 0.24232 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | 2.0173 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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