N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide
Formula:C17H18N3O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide |
| MolecularFormula | C17H18N3O3Cl2 |
| Smiles | O=C(C[NH+]1CCOCC1)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C17H17Cl2N3O3/c18-14-3-1-2-13(17(14)19)15-5-4-12(25-15)10-20-21-16(23)11-22-6-8-24-9-7-22/h1-5,10H,6-9,11H2,(H,21,23)/p+1 |
| InChIK | ULIGEQPRKHKIGZ-UHFFFAOYSA-O |
| TotalMolweight | 383.254 |
| Molweight | 383.254 |
| MonoisotopicMass | 382.072521 |
| CLogP | 1.0615 |
| CLogS | -4.673 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 297.16 |
| Relative PSA | 0.26151 |
| PolarSurfaceArea | 68.27 |
| Druglikeness | 4.434 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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