2-[3-[(Z)-N-anilino-C-(hydroxymethyl)carbonimidoyl]phenyl]-2-(phenylhydrazinylidene)ethanol
Formula:C22H22N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[3-[(Z)-N-anilino-C-(hydroxymethyl)carbonimidoyl]phenyl]-2-(phenylhydrazinylidene)ethanol is not a drug-like molecule.
| MolName | 2-[3-[(Z)-N-anilino-C-(hydroxymethyl)carbonimidoyl]phenyl]-2-(phenylhydrazinylidene)ethanol |
| MolecularFormula | C22H22N4O2 |
| Smiles | OC/C(/c1cccc(C(CO)=NNc2ccccc2)c1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C22H22N4O2/c27-15-21(25-23-19-10-3-1-4-11-19)17-8-7-9-18(14-17)22(16-28)26-24-20-12-5-2-6-13-20/h1-14,23-24,27-28H,15-16H2 |
| InChIK | RHNWEHNPPNHOKZ-UHFFFAOYSA-N |
| TotalMolweight | 374.443 |
| Molweight | 374.443 |
| MonoisotopicMass | 374.174276 |
| CLogP | 6.0446 |
| CLogS | -4.388 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 301.86 |
| Relative PSA | 0.23898 |
| PolarSurfaceArea | 89.24 |
| Druglikeness | 0.80173 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-[3-[(Z)-N-anilino-C-(hydroxymethyl)carbonimidoyl]phenyl]-2-(phenylhydrazinylidene)ethanol | 2 - 2-[3-[(Z)-N-anilino-C-(hydroxymethyl)carbonimidoyl]phenyl]-2-(phenylhydrazinylidene)ethanol
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