N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C20H16N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C20H16N3OF3 |
| Smiles | O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cccn1-c1ccccc1 |
| InChI | InChI=1S/C20H16F3N3O/c21-20(22,23)16-7-4-6-15(12-16)13-19(27)25-24-14-18-10-5-11-26(18)17-8-2-1-3-9-17/h1-12,14H,13H2,(H,25,27) |
| InChIK | BHWWJEVICZRXKM-UHFFFAOYSA-N |
| TotalMolweight | 371.361 |
| Molweight | 371.361 |
| MonoisotopicMass | 371.124546 |
| CLogP | 4.2869 |
| CLogS | -6.801 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 279.17 |
| Relative PSA | 0.1536 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | -1.7627 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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