2-naphthalen-1-yl-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide
Formula:C21H17N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-naphthalen-1-yl-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-naphthalen-1-yl-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide |
| MolecularFormula | C21H17N3O3 |
| Smiles | [O-][N+](c1cc(/C=C/C=N\NC(Cc2cccc3ccccc23)=O)ccc1)=O |
| InChI | InChI=1S/C21H17N3O3/c25-21(15-18-10-4-9-17-8-1-2-12-20(17)18)23-22-13-5-7-16-6-3-11-19(14-16)24(26)27/h1-14H,15H2,(H,23,25) |
| InChIK | GPCDQJAYDSMOAV-UHFFFAOYSA-N |
| TotalMolweight | 359.384 |
| Molweight | 359.384 |
| MonoisotopicMass | 359.126992 |
| CLogP | 3.4908 |
| CLogS | -6.044 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 285.52 |
| Relative PSA | 0.23266 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.72399 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-naphthalen-1-yl-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide | 2 - 2-naphthalen-1-yl-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide
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