N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Formula:C16H14N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C16H14N2O |
| Smiles | O=C(c1ccccc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C16H14N2O/c19-16(15-11-5-2-6-12-15)18-17-13-7-10-14-8-3-1-4-9-14/h1-13H,(H,18,19) |
| InChIK | IBLXLVVKHVGRSI-UHFFFAOYSA-N |
| TotalMolweight | 250.3 |
| Molweight | 250.3 |
| MonoisotopicMass | 250.110613 |
| CLogP | 3.2199 |
| CLogS | -4.013 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 213.49 |
| Relative PSA | 0.16867 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.4481 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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