N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
Formula:C15H17N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide |
| MolecularFormula | C15H17N2OBr |
| Smiles | O=C(C1C2C1CCCC2)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H17BrN2O/c16-11-7-5-10(6-8-11)9-17-18-15(19)14-12-3-1-2-4-13(12)14/h5-9,12-14H,1-4H2,(H,18,19) |
| InChIK | IHPLKRLWXZUJJN-UHFFFAOYSA-N |
| TotalMolweight | 321.217 |
| Molweight | 321.217 |
| MonoisotopicMass | 320.052424 |
| CLogP | 3.7305 |
| CLogS | -4.847 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 211.4 |
| Relative PSA | 0.17034 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -1.6059 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
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