N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
Formula:C18H16N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide |
| MolecularFormula | C18H16N6O2 |
| Smiles | O=C(COc(cc1)ccc1-n1nnnc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H16N6O2/c25-18(21-19-12-4-7-15-5-2-1-3-6-15)13-26-17-10-8-16(9-11-17)24-14-20-22-23-24/h1-12,14H,13H2,(H,21,25) |
| InChIK | LFLJOYXFKDDFQK-UHFFFAOYSA-N |
| TotalMolweight | 348.365 |
| Molweight | 348.365 |
| MonoisotopicMass | 348.133474 |
| CLogP | 1.6934 |
| CLogS | -4.092 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 282.49 |
| Relative PSA | 0.30369 |
| PolarSurfaceArea | 94.29 |
| Druglikeness | 3.1682 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
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