N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrrole-2-carboxamide
Formula:C13H10N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrrole-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrrole-2-carboxamide |
| MolecularFormula | C13H10N3OF3 |
| Smiles | O=C(c1ccc[nH]1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C13H10F3N3O/c14-13(15,16)10-5-3-9(4-6-10)8-18-19-12(20)11-2-1-7-17-11/h1-8,17H,(H,19,20) |
| InChIK | NCFYACZKDNRSOX-UHFFFAOYSA-N |
| TotalMolweight | 281.236 |
| Molweight | 281.236 |
| MonoisotopicMass | 281.077596 |
| CLogP | 2.8264 |
| CLogS | -3.547 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 206.02 |
| Relative PSA | 0.24269 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | -1.5597 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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