N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-2-chlorobenzamide
Formula:C14H13N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-2-chlorobenzamide is a drug-like molecule.
| MolName | N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-2-chlorobenzamide |
| MolecularFormula | C14H13N2OCl |
| Smiles | O=C(c(cccc1)c1Cl)N/N=C(\C1)/C2C1C=CC2 |
| InChI | InChI=1S/C14H13ClN2O/c15-12-7-2-1-5-11(12)14(18)17-16-13-8-9-4-3-6-10(9)13/h1-5,7,9-10H,6,8H2,(H,17,18) |
| InChIK | YTWCLUFONZJYIB-UHFFFAOYSA-N |
| TotalMolweight | 260.723 |
| Molweight | 260.723 |
| MonoisotopicMass | 260.07164 |
| CLogP | 3.1863 |
| CLogS | -4.227 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 192.88 |
| Relative PSA | 0.1867 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.3819 |
| 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 | 4 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-2-chlorobenzamide | 2 - N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-2-chlorobenzamide
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