2-naphthalen-2-yloxy-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide
Formula:C19H15N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-naphthalen-2-yloxy-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-naphthalen-2-yloxy-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]acetamide |
| MolecularFormula | C19H15N3O5 |
| Smiles | [O-][N+](c1ccc(/C=C/C=N\NC(COc2cc3ccccc3cc2)=O)o1)=O |
| InChI | InChI=1S/C19H15N3O5/c23-18(13-26-17-8-7-14-4-1-2-5-15(14)12-17)21-20-11-3-6-16-9-10-19(27-16)22(24)25/h1-12H,13H2,(H,21,23) |
| InChIK | DJPSYFCGCPXNPX-UHFFFAOYSA-N |
| TotalMolweight | 365.344 |
| Molweight | 365.344 |
| MonoisotopicMass | 365.101172 |
| CLogP | 2.6077 |
| CLogS | -6.066 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 285.21 |
| Relative PSA | 0.31745 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | 1.085 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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