(2E)-2-[(4-phenylphenyl)hydrazinylidene]cyclohexan-1-one
Formula:C18H18N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2E)-2-[(4-phenylphenyl)hydrazinylidene]cyclohexan-1-one is not a drug-like molecule.
| MolName | (2E)-2-[(4-phenylphenyl)hydrazinylidene]cyclohexan-1-one |
| MolecularFormula | C18H18N2O |
| Smiles | O=C(CCCC1)/C1=N/Nc(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C18H18N2O/c21-18-9-5-4-8-17(18)20-19-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-3,6-7,10-13,19H,4-5,8-9H2 |
| InChIK | JWRFOQADJBPSRD-UHFFFAOYSA-N |
| TotalMolweight | 278.354 |
| Molweight | 278.354 |
| MonoisotopicMass | 278.141913 |
| CLogP | 5.5424 |
| CLogS | -4.749 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 226.74 |
| Relative PSA | 0.15882 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -5.9624 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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