N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-3-bromobenzamide
Formula:C14H15N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-3-bromobenzamide is a drug-like molecule.
| MolName | N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-3-bromobenzamide |
| MolecularFormula | C14H15N2OBr |
| Smiles | O=C(c1cccc(Br)c1)N/N=C1/C(CC2)CC2C1 |
| InChI | InChI=1S/C14H15BrN2O/c15-12-3-1-2-11(8-12)14(18)17-16-13-7-9-4-5-10(13)6-9/h1-3,8-10H,4-7H2,(H,17,18) |
| InChIK | ZOFPSZBAPCMHRF-UHFFFAOYSA-N |
| TotalMolweight | 307.19 |
| Molweight | 307.19 |
| MonoisotopicMass | 306.036774 |
| CLogP | 3.5809 |
| CLogS | -4.553 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 197.11 |
| Relative PSA | 0.18269 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 0.83495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-3-bromobenzamide | 2 - N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-3-bromobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off