N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide
Formula:C20H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C20H17N3O |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C20H17N3O/c24-20(22-21-14-8-11-17-9-2-1-3-10-17)18-12-4-5-13-19(18)23-15-6-7-16-23/h1-16H,(H,22,24) |
| InChIK | PVMRVCAHTDTZIP-UHFFFAOYSA-N |
| TotalMolweight | 315.375 |
| Molweight | 315.375 |
| MonoisotopicMass | 315.137162 |
| CLogP | 3.4048 |
| CLogS | -6.326 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 262.45 |
| Relative PSA | 0.16338 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 5.0803 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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