N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C30H24N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C30H24N4O |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C30H24N4O/c35-30(28-15-7-8-16-29(28)33-21-9-10-22-33)32-31-23-24-17-19-27(20-18-24)34(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-23H,(H,32,35) |
| InChIK | MXSHLLLJNJCHMR-UHFFFAOYSA-N |
| TotalMolweight | 456.548 |
| Molweight | 456.548 |
| MonoisotopicMass | 456.195011 |
| CLogP | 5.9809 |
| CLogS | -10.21 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 365.77 |
| Relative PSA | 0.12694 |
| PolarSurfaceArea | 49.63 |
| Druglikeness | 5.0948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 12 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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