3,4-dichloro-N-[2-oxo-2-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]ethyl]benzamide
Formula:C17H12N3O2Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[2-oxo-2-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 3,4-dichloro-N-[2-oxo-2-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]ethyl]benzamide |
| MolecularFormula | C17H12N3O2Cl2F3 |
| Smiles | O=C(CNC(c(cc1)cc(Cl)c1Cl)=O)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C17H12Cl2F3N3O2/c18-13-6-5-10(7-14(13)19)16(27)23-9-15(26)25-24-8-11-3-1-2-4-12(11)17(20,21)22/h1-8H,9H2,(H,23,27)(H,25,26) |
| InChIK | BDEAJAOPWMBFIR-UHFFFAOYSA-N |
| TotalMolweight | 418.201 |
| Molweight | 418.201 |
| MonoisotopicMass | 417.025865 |
| CLogP | 4.3456 |
| CLogS | -5.738 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 290.26 |
| Relative PSA | 0.20847 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -1.8363 |
| 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 | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3,4-dichloro-N-[2-oxo-2-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]ethyl]benzamide | 2 - 3,4-dichloro-N-[2-oxo-2-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]ethyl]benzamide
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