(4Z,8Z)-N-[(Z)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
Formula:C21H25N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z,8Z)-N-[(Z)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is not a drug-like molecule.
| MolName | (4Z,8Z)-N-[(Z)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide |
| MolecularFormula | C21H25N2OBr |
| Smiles | O=C(C1C2C1CC/C=C\CC/C=C\CC2)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C21H25BrN2O/c22-19-14-10-9-11-16(19)15-23-24-21(25)20-17-12-7-5-3-1-2-4-6-8-13-18(17)20/h3-6,9-11,14-15,17-18,20H,1-2,7-8,12-13H2,(H,24,25) |
| InChIK | CXSVWIBMCMBREG-UHFFFAOYSA-N |
| TotalMolweight | 401.347 |
| Molweight | 401.347 |
| MonoisotopicMass | 400.115024 |
| CLogP | 6.4021 |
| CLogS | -6.011 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 291.92 |
| Relative PSA | 0.12336 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -1.6394 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (4Z,8Z)-N-[(Z)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide | 2 - (4Z,8Z)-N-[(Z)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
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