[(Z)-1,3-benzodioxol-5-ylmethylideneamino] N-[3-(trifluoromethyl)phenyl]carbamate
Formula:C16H11N2O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-1,3-benzodioxol-5-ylmethylideneamino] N-[3-(trifluoromethyl)phenyl]carbamate is a drug-like molecule.
| MolName | [(Z)-1,3-benzodioxol-5-ylmethylideneamino] N-[3-(trifluoromethyl)phenyl]carbamate |
| MolecularFormula | C16H11N2O4F3 |
| Smiles | O=C(Nc1cccc(C(F)(F)F)c1)O/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C16H11F3N2O4/c17-16(18,19)11-2-1-3-12(7-11)21-15(22)25-20-8-10-4-5-13-14(6-10)24-9-23-13/h1-8H,9H2,(H,21,22) |
| InChIK | FEVYHBSOTRXUOY-UHFFFAOYSA-N |
| TotalMolweight | 352.267 |
| Molweight | 352.267 |
| MonoisotopicMass | 352.067092 |
| CLogP | 4.8717 |
| CLogS | -5.776 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 246.71 |
| Relative PSA | 0.26756 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | -13.486 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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