N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C19H15N3O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C19H15N3O2F2 |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C19H15F2N3O2/c20-19(21)26-15-9-7-14(8-10-15)13-22-23-18(25)16-5-1-2-6-17(16)24-11-3-4-12-24/h1-13,19H,(H,23,25) |
| InChIK | OXJPRMKCVRYKOF-UHFFFAOYSA-N |
| TotalMolweight | 355.343 |
| Molweight | 355.343 |
| MonoisotopicMass | 355.113233 |
| CLogP | 3.5559 |
| CLogS | -6.656 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.15 |
| Relative PSA | 0.19502 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 2.1795 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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