(1R,6S)-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
Formula:C16H17N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R,6S)-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is a drug-like molecule.
| MolName | (1R,6S)-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide |
| MolecularFormula | C16H17N2O3Br |
| Smiles | O=C(C1[C@@H]2[C@H]1CCCC2)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C16H17BrN2O3/c17-12-6-14-13(21-8-22-14)5-9(12)7-18-19-16(20)15-10-3-1-2-4-11(10)15/h5-7,10-11,15H,1-4,8H2,(H,19,20)/t10-,11+,15? |
| InChIK | INXKYSNBJDQHCN-YWXMQNBFSA-N |
| TotalMolweight | 365.226 |
| Molweight | 365.226 |
| MonoisotopicMass | 364.042254 |
| CLogP | 3.8419 |
| CLogS | -5.558 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.66 |
| Relative PSA | 0.24178 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -1.787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (1R,6S)-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide | 2 - (1R,6S)-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
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