4-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide
Formula:C19H20N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide |
| MolecularFormula | C19H20N3OCl |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C\c(cc1)ccc1N1CCCCC1 |
| InChI | InChI=1S/C19H20ClN3O/c20-17-8-6-16(7-9-17)19(24)22-21-14-15-4-10-18(11-5-15)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13H2,(H,22,24) |
| InChIK | VPFGYZQOTOMDRP-UHFFFAOYSA-N |
| TotalMolweight | 341.841 |
| Molweight | 341.841 |
| MonoisotopicMass | 341.129489 |
| CLogP | 4.6406 |
| CLogS | -5.449 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.01 |
| Relative PSA | 0.14761 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 4.412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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