(2E)-2-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]cyclohexan-1-one
Formula:C18H25N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]cyclohexan-1-one is a drug-like molecule.
| MolName | (2E)-2-[[4-(piperidin-1-ylmethyl)phenyl]hydrazinylidene]cyclohexan-1-one |
| MolecularFormula | C18H25N3O |
| Smiles | O=C(CCCC1)/C1=N/Nc1ccc(CN2CCCCC2)cc1 |
| InChI | InChI=1S/C18H25N3O/c22-18-7-3-2-6-17(18)20-19-16-10-8-15(9-11-16)14-21-12-4-1-5-13-21/h8-11,19H,1-7,12-14H2 |
| InChIK | GILTUMCHNNFUPK-UHFFFAOYSA-N |
| TotalMolweight | 299.417 |
| Molweight | 299.417 |
| MonoisotopicMass | 299.199762 |
| CLogP | 4.6391 |
| CLogS | -3.133 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 246.34 |
| Relative PSA | 0.16059 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | -2.1454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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