N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-phenylaniline
Formula:C23H17N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-phenylaniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-phenylaniline |
| MolecularFormula | C23H17N3O3 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\N(c3ccccc3)c3ccccc3)o2)ccc1)=O |
| InChI | InChI=1S/C23H17N3O3/c27-26(28)21-13-7-8-18(16-21)23-15-14-22(29-23)17-24-25(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-17H |
| InChIK | ZKIDVRIZBRRHGF-UHFFFAOYSA-N |
| TotalMolweight | 383.406 |
| Molweight | 383.406 |
| MonoisotopicMass | 383.126992 |
| CLogP | 5.2461 |
| CLogS | -7.646 |
| H Acceptors | 6 |
| TotalSurfaceArea | 300.96 |
| Relative PSA | 0.198 |
| PolarSurfaceArea | 74.56 |
| Druglikeness | 0.54526 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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