N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C21H22N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxy-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C21H22N2O2 |
| Smiles | OC(C(N/N=C\C1CC=CCC1)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C21H22N2O2/c24-20(23-22-16-17-10-4-1-5-11-17)21(25,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-4,6-9,12-17,25H,5,10-11H2,(H,23,24)/t17-/m1/s1 |
| InChIK | HLAAUUBZBPYYEZ-QGZVFWFLSA-N |
| TotalMolweight | 334.418 |
| Molweight | 334.418 |
| MonoisotopicMass | 334.168128 |
| CLogP | 2.7959 |
| CLogS | -4.277 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 270.53 |
| Relative PSA | 0.18153 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 0.29167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| StereoCon | racemate |
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