N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C16H12N2O4F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C16H12N2O4F2 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C16H12F2N2O4/c17-16(18)24-12-4-2-1-3-11(12)8-19-20-15(21)10-5-6-13-14(7-10)23-9-22-13/h1-8,16H,9H2,(H,20,21) |
| InChIK | FDDSGLLNWQTUPS-UHFFFAOYSA-N |
| TotalMolweight | 334.277 |
| Molweight | 334.277 |
| MonoisotopicMass | 334.076514 |
| CLogP | 3.4824 |
| CLogS | -5.054 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 242.45 |
| Relative PSA | 0.27226 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 1.4505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| StereoCon |
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