(2E)-2-[(4-piperidin-1-ylphenyl)hydrazinylidene]cyclohexan-1-one
Formula:C17H23N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2E)-2-[(4-piperidin-1-ylphenyl)hydrazinylidene]cyclohexan-1-one is a drug-like molecule.
| MolName | (2E)-2-[(4-piperidin-1-ylphenyl)hydrazinylidene]cyclohexan-1-one |
| MolecularFormula | C17H23N3O |
| Smiles | O=C(CCCC1)/C1=N/Nc(cc1)ccc1N1CCCCC1 |
| InChI | InChI=1S/C17H23N3O/c21-17-7-3-2-6-16(17)19-18-14-8-10-15(11-9-14)20-12-4-1-5-13-20/h8-11,18H,1-7,12-13H2 |
| InChIK | SUFSHLSOMFYULF-UHFFFAOYSA-N |
| TotalMolweight | 285.39 |
| Molweight | 285.39 |
| MonoisotopicMass | 285.184112 |
| CLogP | 4.7162 |
| CLogS | -3.655 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.58 |
| Relative PSA | 0.17009 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | -2.6377 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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