N-[(Z)-cyclohexylmethylideneamino]-4-(2,4-dichlorophenoxy)butanamide
Formula:C17H22N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-cyclohexylmethylideneamino]-4-(2,4-dichlorophenoxy)butanamide is a drug-like molecule.
| MolName | N-[(Z)-cyclohexylmethylideneamino]-4-(2,4-dichlorophenoxy)butanamide |
| MolecularFormula | C17H22N2O2Cl2 |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)N/N=C\C1CCCCC1 |
| InChI | InChI=1S/C17H22Cl2N2O2/c18-14-8-9-16(15(19)11-14)23-10-4-7-17(22)21-20-12-13-5-2-1-3-6-13/h8-9,11-13H,1-7,10H2,(H,21,22) |
| InChIK | ZSUHDPZJKHLRFQ-UHFFFAOYSA-N |
| TotalMolweight | 357.28 |
| Molweight | 357.28 |
| MonoisotopicMass | 356.105832 |
| CLogP | 4.4867 |
| CLogS | -5.591 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 277.15 |
| Relative PSA | 0.16601 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -3.5517 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-cyclohexylmethylideneamino]-4-(2,4-dichlorophenoxy)butanamide | 2 - N-[(Z)-cyclohexylmethylideneamino]-4-(2,4-dichlorophenoxy)butanamide
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