(3S,6R)-N-[(Z)-(4-bromophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
Formula:C19H23N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S,6R)-N-[(Z)-(4-bromophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide is a drug-like molecule.
| MolName | (3S,6R)-N-[(Z)-(4-bromophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide |
| MolecularFormula | C19H23N2OBr |
| Smiles | O=C(C1(CC(C2)C3)C[C@H]3CC[C@H]2C1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C19H23BrN2O/c20-17-5-3-13(4-6-17)12-21-22-18(23)19-9-14-1-2-15(10-19)8-16(7-14)11-19/h3-6,12,14-16H,1-2,7-11H2,(H,22,23)/t14-,15+,16?,19? |
| InChIK | LSUJXFQBVBONPF-JOUKPKRSSA-N |
| TotalMolweight | 375.309 |
| Molweight | 375.309 |
| MonoisotopicMass | 374.099374 |
| CLogP | 4.7221 |
| CLogS | -5.81 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 249.59 |
| Relative PSA | 0.14428 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.4064 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (3S,6R)-N-[(Z)-(4-bromophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide | 2 - (3S,6R)-N-[(Z)-(4-bromophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
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