N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C16H10N2O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C16H10N2O3ClF3 |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)N/N=C\c(cc1OCOc1c1)c1Cl |
| InChI | InChI=1S/C16H10ClF3N2O3/c17-12-6-14-13(24-8-25-14)5-10(12)7-21-22-15(23)9-2-1-3-11(4-9)16(18,19)20/h1-7H,8H2,(H,22,23) |
| InChIK | ZASFFVGYCRWDAD-UHFFFAOYSA-N |
| TotalMolweight | 370.713 |
| Molweight | 370.713 |
| MonoisotopicMass | 370.033204 |
| CLogP | 4.7673 |
| CLogS | -5.946 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 252.13 |
| Relative PSA | 0.22215 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -2.9295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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