4-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Formula:C19H15N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is a drug-like molecule.
| MolName | 4-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione |
| MolecularFormula | C19H15N2O4Br |
| Smiles | O=C(C(C1C2=O)C3C=CC1C31CC1)N2/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C19H15BrN2O4/c20-12-6-14-13(25-8-26-14)5-9(12)7-21-22-17(23)15-10-1-2-11(16(15)18(22)24)19(10)3-4-19/h1-2,5-7,10-11,15-16H,3-4,8H2 |
| InChIK | MMEASEIJJOKDPR-UHFFFAOYSA-N |
| TotalMolweight | 415.242 |
| Molweight | 415.242 |
| MonoisotopicMass | 414.021519 |
| CLogP | 2.8827 |
| CLogS | -5.236 |
| H Acceptors | 6 |
| TotalSurfaceArea | 243.14 |
| Relative PSA | 0.25146 |
| PolarSurfaceArea | 68.2 |
| Druglikeness | 3.1441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 7 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 4-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione | 2 - 4-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
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