N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzothiophene-3-carboxamide
Formula:C18H14N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzothiophene-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzothiophene-3-carboxamide |
| MolecularFormula | C18H14N2OS |
| Smiles | O=C(c1csc2c1cccc2)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H14N2OS/c21-18(16-13-22-17-11-5-4-10-15(16)17)20-19-12-6-9-14-7-2-1-3-8-14/h1-13H,(H,20,21) |
| InChIK | FDZHKCAQKNWBGR-UHFFFAOYSA-N |
| TotalMolweight | 306.388 |
| Molweight | 306.388 |
| MonoisotopicMass | 306.082683 |
| CLogP | 4.0589 |
| CLogS | -5.252 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 244.03 |
| Relative PSA | 0.231 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 5.5405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| StereoCon |
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