4-[5-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
Formula:C18H19N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 4-[5-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C18H19N3O5 |
| Smiles | [O-]C(c(cc1)ccc1-c1ccc(/C=N\NC(C[NH+]2CCOCC2)=O)o1)=O |
| InChI | InChI=1S/C18H19N3O5/c22-17(12-21-7-9-25-10-8-21)20-19-11-15-5-6-16(26-15)13-1-3-14(4-2-13)18(23)24/h1-6,11H,7-10,12H2,(H,20,22)(H,23,24) |
| InChIK | PMTODVMNYIZRJS-UHFFFAOYSA-N |
| TotalMolweight | 357.365 |
| Molweight | 357.365 |
| MonoisotopicMass | 357.132472 |
| CLogP | -1.4266 |
| CLogS | -3.214 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 291.6 |
| Relative PSA | 0.36019 |
| PolarSurfaceArea | 108.4 |
| Druglikeness | 4.4761 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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