4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
Formula:C19H14N2O3Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-furan-2-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-[(3,4-dichlorophenyl)methoxy]-N-[(Z)-furan-2-ylmethylideneamino]benzamide |
| MolecularFormula | C19H14N2O3Cl2 |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)cc(Cl)c1Cl)N/N=C\c1ccco1 |
| InChI | InChI=1S/C19H14Cl2N2O3/c20-17-8-3-13(10-18(17)21)12-26-15-6-4-14(5-7-15)19(24)23-22-11-16-2-1-9-25-16/h1-11H,12H2,(H,23,24) |
| InChIK | OAJTZRRBDNXESP-UHFFFAOYSA-N |
| TotalMolweight | 389.237 |
| Molweight | 389.237 |
| MonoisotopicMass | 388.038147 |
| CLogP | 4.9504 |
| CLogS | -6.216 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 291.04 |
| Relative PSA | 0.20657 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 4.0228 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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