N-[(Z)-(2-chlorocyclohepten-1-yl)methylideneamino]benzamide
Formula:C15H17N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorocyclohepten-1-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorocyclohepten-1-yl)methylideneamino]benzamide |
| MolecularFormula | C15H17N2OCl |
| Smiles | O=C(c1ccccc1)N/N=C\C(CCCCC1)=C1Cl |
| InChI | InChI=1S/C15H17ClN2O/c16-14-10-6-2-5-9-13(14)11-17-18-15(19)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,18,19) |
| InChIK | DQCVRZKTMHMOMB-UHFFFAOYSA-N |
| TotalMolweight | 276.766 |
| Molweight | 276.766 |
| MonoisotopicMass | 276.10294 |
| CLogP | 3.4478 |
| CLogS | -4.496 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 220.87 |
| Relative PSA | 0.16304 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -0.50663 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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