N-[(Z)-pyridin-3-ylmethylideneamino]-3-(2,2,2-trifluoroethoxymethyl)benzamide
Formula:C16H14N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]-3-(2,2,2-trifluoroethoxymethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-3-(2,2,2-trifluoroethoxymethyl)benzamide |
| MolecularFormula | C16H14N3O2F3 |
| Smiles | O=C(c1cccc(COCC(F)(F)F)c1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C16H14F3N3O2/c17-16(18,19)11-24-10-12-3-1-5-14(7-12)15(23)22-21-9-13-4-2-6-20-8-13/h1-9H,10-11H2,(H,22,23) |
| InChIK | VFQOHANADGOVBO-UHFFFAOYSA-N |
| TotalMolweight | 337.3 |
| Molweight | 337.3 |
| MonoisotopicMass | 337.103811 |
| CLogP | 2.9219 |
| CLogS | -3.978 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 252.73 |
| Relative PSA | 0.22546 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | -4.3124 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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