N-[(Z)-thiophen-2-ylmethylideneamino]bicyclo[2.2.1]heptane-2-carboxamide
Formula:C13H16N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]bicyclo[2.2.1]heptane-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]bicyclo[2.2.1]heptane-2-carboxamide |
| MolecularFormula | C13H16N2OS |
| Smiles | O=C(C1C(CC2)CC2C1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H16N2OS/c16-13(12-7-9-3-4-10(12)6-9)15-14-8-11-2-1-5-17-11/h1-2,5,8-10,12H,3-4,6-7H2,(H,15,16) |
| InChIK | DJWDETGXNBGOHX-UHFFFAOYSA-N |
| TotalMolweight | 248.349 |
| Molweight | 248.349 |
| MonoisotopicMass | 248.098333 |
| CLogP | 2.8719 |
| CLogS | -4.023 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 188.71 |
| Relative PSA | 0.29871 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 5.926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(Z)-thiophen-2-ylmethylideneamino]bicyclo[2.2.1]heptane-2-carboxamide | 2 - N-[(Z)-thiophen-2-ylmethylideneamino]bicyclo[2.2.1]heptane-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off