N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-bromobenzamide
Formula:C14H13N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-bromobenzamide is a drug-like molecule.
| MolName | N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-bromobenzamide |
| MolecularFormula | C14H13N2OBr |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C1\C2C=CCC2C1 |
| InChI | InChI=1S/C14H13BrN2O/c15-11-6-4-9(5-7-11)14(18)17-16-13-8-10-2-1-3-12(10)13/h1,3-7,10,12H,2,8H2,(H,17,18) |
| InChIK | JNQAKOOKMZFIKF-UHFFFAOYSA-N |
| TotalMolweight | 305.174 |
| Molweight | 305.174 |
| MonoisotopicMass | 304.021124 |
| CLogP | 3.3055 |
| CLogS | -4.325 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 196.09 |
| Relative PSA | 0.18364 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 0.54653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.66667 |
| 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 | 4 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-bromobenzamide | 2 - N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-bromobenzamide
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