N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-(4-fluorophenyl)pyrrole-2-carboxamide
Formula:C18H12N3OClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-(4-fluorophenyl)pyrrole-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-(4-fluorophenyl)pyrrole-2-carboxamide |
| MolecularFormula | C18H12N3OClF2 |
| Smiles | O=C(c1cccn1-c(cc1)ccc1F)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C18H12ClF2N3O/c19-15-3-1-4-16(21)14(15)11-22-23-18(25)17-5-2-10-24(17)13-8-6-12(20)7-9-13/h1-11H,(H,23,25) |
| InChIK | OVAMGNMUZCWTSS-UHFFFAOYSA-N |
| TotalMolweight | 359.762 |
| Molweight | 359.762 |
| MonoisotopicMass | 359.063695 |
| CLogP | 4.2481 |
| CLogS | -7.422 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 264.07 |
| Relative PSA | 0.16238 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 4.7365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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