N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-chlorobenzamide
Formula:C14H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-chlorobenzamide is a drug-like molecule.
| MolName | N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-chlorobenzamide |
| MolecularFormula | C14H15N2OCl |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C1/C(CC2)CC2C1 |
| InChI | InChI=1S/C14H15ClN2O/c15-12-5-3-10(4-6-12)14(18)17-16-13-8-9-1-2-11(13)7-9/h3-6,9,11H,1-2,7-8H2,(H,17,18) |
| InChIK | KXHAKZRACRAIIQ-UHFFFAOYSA-N |
| TotalMolweight | 262.739 |
| Molweight | 262.739 |
| MonoisotopicMass | 262.08729 |
| CLogP | 3.4617 |
| CLogS | -4.455 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 193.9 |
| Relative PSA | 0.18571 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.6551 |
| 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 | 6 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-chlorobenzamide | 2 - N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-chlorobenzamide
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