N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C21H16N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C21H16N2O4 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H16N2O4/c24-21(16-9-10-19-20(12-16)26-14-25-19)23-22-13-15-5-4-8-18(11-15)27-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,24) |
| InChIK | LMKQIHIKOUFLHB-UHFFFAOYSA-N |
| TotalMolweight | 360.368 |
| Molweight | 360.368 |
| MonoisotopicMass | 360.111008 |
| CLogP | 4.7086 |
| CLogS | -6.729 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 277.01 |
| Relative PSA | 0.23829 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 4.2378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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