2-naphthalen-1-yl-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C23H17N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-naphthalen-1-yl-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-naphthalen-1-yl-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C23H17N3O4 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\NC(Cc3cccc4ccccc34)=O)o2)ccc1)=O |
| InChI | InChI=1S/C23H17N3O4/c27-23(14-17-7-3-6-16-5-1-2-10-21(16)17)25-24-15-20-11-12-22(30-20)18-8-4-9-19(13-18)26(28)29/h1-13,15H,14H2,(H,25,27) |
| InChIK | CCCWUWOOALYJEK-UHFFFAOYSA-N |
| TotalMolweight | 399.405 |
| Molweight | 399.405 |
| MonoisotopicMass | 399.121907 |
| CLogP | 4.4114 |
| CLogS | -7.212 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 308.47 |
| Relative PSA | 0.2611 |
| 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 | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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