N,N'-bis[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
Formula:C18H12N4O2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N,N'-bis[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide |
| MolecularFormula | C18H12N4O2F6 |
| Smiles | O=C(C(N/N=C\c1c(C(F)(F)F)cccc1)=O)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C18H12F6N4O2/c19-17(20,21)13-7-3-1-5-11(13)9-25-27-15(29)16(30)28-26-10-12-6-2-4-8-14(12)18(22,23)24/h1-10H,(H,27,29)(H,28,30) |
| InChIK | VCKMULGBPXRLPB-UHFFFAOYSA-N |
| TotalMolweight | 430.307 |
| Molweight | 430.307 |
| MonoisotopicMass | 430.086444 |
| CLogP | 4.235 |
| CLogS | -5.674 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 299.88 |
| Relative PSA | 0.24016 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -3.8515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 17 |
| StereoCon |
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