N-[(4-chlorophenyl)methyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
Formula:C17H13N3O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(4-chlorophenyl)methyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-[(4-chlorophenyl)methyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide |
| MolecularFormula | C17H13N3O2ClF3 |
| Smiles | O=C(C(N/N=C\c1c(C(F)(F)F)cccc1)=O)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C17H13ClF3N3O2/c18-13-7-5-11(6-8-13)9-22-15(25)16(26)24-23-10-12-3-1-2-4-14(12)17(19,20)21/h1-8,10H,9H2,(H,22,25)(H,24,26) |
| InChIK | RUZDANFKCNAFKG-UHFFFAOYSA-N |
| TotalMolweight | 383.756 |
| Molweight | 383.756 |
| MonoisotopicMass | 383.064838 |
| CLogP | 3.3076 |
| CLogS | -4.855 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 274.84 |
| Relative PSA | 0.22016 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -3.1241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(4-chlorophenyl)methyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide | 2 - N-[(4-chlorophenyl)methyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
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