N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-3-iodobenzamide
Formula:C22H17N2OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-3-iodobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-3-iodobenzamide |
| MolecularFormula | C22H17N2OI |
| Smiles | O=C(c1cccc(I)c1)N/N=C(/C=C/c1ccccc1)\c1ccccc1 |
| InChI | InChI=1S/C22H17IN2O/c23-20-13-7-12-19(16-20)22(26)25-24-21(18-10-5-2-6-11-18)15-14-17-8-3-1-4-9-17/h1-16H,(H,25,26) |
| InChIK | QGXFTQSQPGABIK-UHFFFAOYSA-N |
| TotalMolweight | 452.29 |
| Molweight | 452.29 |
| MonoisotopicMass | 452.038561 |
| CLogP | 5.3496 |
| CLogS | -6.637 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 297.74 |
| Relative PSA | 0.12094 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.8585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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