(2E)-2-[(4-cyclohexylphenyl)hydrazinylidene]cycloheptan-1-one
Formula:C19H26N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(4-cyclohexylphenyl)hydrazinylidene]cycloheptan-1-one is not a drug-like molecule.
| MolName | (2E)-2-[(4-cyclohexylphenyl)hydrazinylidene]cycloheptan-1-one |
| MolecularFormula | C19H26N2O |
| Smiles | O=C(CCCCC1)/C1=N/Nc1ccc(C2CCCCC2)cc1 |
| InChI | InChI=1S/C19H26N2O/c22-19-10-6-2-5-9-18(19)21-20-17-13-11-16(12-14-17)15-7-3-1-4-8-15/h11-15,20H,1-10H2 |
| InChIK | HRQHAKPWLXXZGF-UHFFFAOYSA-N |
| TotalMolweight | 298.428 |
| Molweight | 298.428 |
| MonoisotopicMass | 298.204513 |
| CLogP | 6.362 |
| CLogS | -4.7 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 248.54 |
| Relative PSA | 0.14489 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -5.7495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| StereoCon |
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