N-[(Z)-[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide
Formula:C20H21N3O3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide |
| MolecularFormula | C20H21N3O3Cl3 |
| Smiles | O=C(C[NH+]1CCOCC1)N/N=C\c(cc1Cl)cc(Cl)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C20H20Cl3N3O3/c21-16-3-1-14(2-4-16)13-29-20-17(22)9-15(10-18(20)23)11-24-25-19(27)12-26-5-7-28-8-6-26/h1-4,9-11H,5-8,12-13H2,(H,25,27)/p+1 |
| InChIK | UQVPHILVIFVKJA-UHFFFAOYSA-O |
| TotalMolweight | 457.764 |
| Molweight | 457.764 |
| MonoisotopicMass | 456.064848 |
| CLogP | 2.0767 |
| CLogS | -5.29 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 346.65 |
| Relative PSA | 0.21232 |
| PolarSurfaceArea | 64.36 |
| Druglikeness | 2.1378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 7 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide | 2 - N-[(Z)-[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide
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