N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-[3,5-bis(trifluoromethyl)phenyl]propanamide
Formula:C19H14N2O3F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-[3,5-bis(trifluoromethyl)phenyl]propanamide is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-[3,5-bis(trifluoromethyl)phenyl]propanamide |
| MolecularFormula | C19H14N2O3F6 |
| Smiles | O=C(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H14F6N2O3/c20-18(21,22)13-5-11(6-14(8-13)19(23,24)25)2-4-17(28)27-26-9-12-1-3-15-16(7-12)30-10-29-15/h1,3,5-9H,2,4,10H2,(H,27,28) |
| InChIK | NUCSWMMCMFCBDN-UHFFFAOYSA-N |
| TotalMolweight | 432.319 |
| Molweight | 432.319 |
| MonoisotopicMass | 432.090861 |
| CLogP | 5.4621 |
| CLogS | -6.223 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.69 |
| Relative PSA | 0.19071 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -4.1369 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-[3,5-bis(trifluoromethyl)phenyl]propanamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-[3,5-bis(trifluoromethyl)phenyl]propanamide
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