2-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]benzoate
Formula:C17H13N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 2-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]benzoate |
| MolecularFormula | C17H13N3O3F3 |
| Smiles | [O-]C(c1c(/C=N\NC(CNc2cccc(C(F)(F)F)c2)=O)cccc1)=O |
| InChI | InChI=1S/C17H14F3N3O3/c18-17(19,20)12-5-3-6-13(8-12)21-10-15(24)23-22-9-11-4-1-2-7-14(11)16(25)26/h1-9,21H,10H2,(H,23,24)(H,25,26)/p-1 |
| InChIK | DFFKXQNKZCQVHA-UHFFFAOYSA-M |
| TotalMolweight | 364.302 |
| Molweight | 364.302 |
| MonoisotopicMass | 364.090901 |
| CLogP | 0.7509 |
| CLogS | -4.334 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 266.95 |
| Relative PSA | 0.28016 |
| PolarSurfaceArea | 93.62 |
| Druglikeness | -2.1544 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]benzoate | 2 - 2-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]benzoate
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