N-[(Z)-(3-bromophenyl)methylideneamino]cyclohexanecarboxamide
Formula:C14H17N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]cyclohexanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]cyclohexanecarboxamide |
| MolecularFormula | C14H17N2OBr |
| Smiles | O=C(C1CCCCC1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C14H17BrN2O/c15-13-8-4-5-11(9-13)10-16-17-14(18)12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7H2,(H,17,18) |
| InChIK | ZBAJZJHGUYTCIU-UHFFFAOYSA-N |
| TotalMolweight | 309.206 |
| Molweight | 309.206 |
| MonoisotopicMass | 308.052424 |
| CLogP | 3.8271 |
| CLogS | -4.711 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 213.66 |
| Relative PSA | 0.16854 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -1.6207 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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