N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C22H17N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C22H17N2O4Cl |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c(cc1)ccc1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C22H17ClN2O4/c23-19-4-2-1-3-17(19)13-27-18-8-5-15(6-9-18)12-24-25-22(26)16-7-10-20-21(11-16)29-14-28-20/h1-12H,13-14H2,(H,25,26) |
| InChIK | HYYDHXJURQJWIB-UHFFFAOYSA-N |
| TotalMolweight | 408.84 |
| Molweight | 408.84 |
| MonoisotopicMass | 408.087685 |
| CLogP | 5.2671 |
| CLogS | -6.509 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.19 |
| Relative PSA | 0.21559 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 3.993 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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