N-[(Z)-anthracen-9-ylmethylideneamino]-2-hydroxy-2-phenylacetamide
Formula:C23H18N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C23H18N2O2 |
| Smiles | OC(C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)c1ccccc1 |
| InChI | InChI=1S/C23H18N2O2/c26-22(16-8-2-1-3-9-16)23(27)25-24-15-21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h1-15,22,26H,(H,25,27)/t22-/m1/s1 |
| InChIK | NSKYXQIKQSACJE-JOCHJYFZSA-N |
| TotalMolweight | 354.408 |
| Molweight | 354.408 |
| MonoisotopicMass | 354.136828 |
| CLogP | 4.5184 |
| CLogS | -6.35 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 275.04 |
| Relative PSA | 0.17856 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 5.1443 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon | racemate |
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