N-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide
Formula:C17H13N3O2BrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide |
| MolecularFormula | C17H13N3O2BrF3 |
| Smiles | O=C(CNC(c1c(C(F)(F)F)cccc1)=O)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C17H13BrF3N3O2/c18-12-7-5-11(6-8-12)9-23-24-15(25)10-22-16(26)13-3-1-2-4-14(13)17(19,20)21/h1-9H,10H2,(H,22,26)(H,24,25) |
| InChIK | WHNBCLLWWPLLFQ-UHFFFAOYSA-N |
| TotalMolweight | 428.207 |
| Molweight | 428.207 |
| MonoisotopicMass | 427.014322 |
| CLogP | 3.8588 |
| CLogS | -5.1 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 278.05 |
| Relative PSA | 0.21762 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -3.6513 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| 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-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide | 2 - N-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide
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