N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
Formula:C24H27N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-anthracen-9-ylmethylideneamino]-N-(3-morpholin-4-ium-4-ylpropyl)oxamide |
| MolecularFormula | C24H27N4O3 |
| Smiles | O=C(C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)NCCC[NH+]1CCOCC1 |
| InChI | InChI=1S/C24H26N4O3/c29-23(25-10-5-11-28-12-14-31-15-13-28)24(30)27-26-17-22-20-8-3-1-6-18(20)16-19-7-2-4-9-21(19)22/h1-4,6-9,16-17H,5,10-15H2,(H,25,29)(H,27,30)/p+1 |
| InChIK | WTZGJHZKBDIETO-UHFFFAOYSA-O |
| TotalMolweight | 419.503 |
| Molweight | 419.503 |
| MonoisotopicMass | 419.208316 |
| CLogP | 0.8375 |
| CLogS | -4.99 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 342.8 |
| Relative PSA | 0.257 |
| PolarSurfaceArea | 84.23 |
| Druglikeness | 1.9313 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 9 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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