4-(benzylamino)-N-[(Z)-(4-chlorophenyl)methylideneamino]benzamide
Formula:C21H18N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(benzylamino)-N-[(Z)-(4-chlorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(benzylamino)-N-[(Z)-(4-chlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H18N3OCl |
| Smiles | O=C(c(cc1)ccc1NCc1ccccc1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H18ClN3O/c22-19-10-6-17(7-11-19)15-24-25-21(26)18-8-12-20(13-9-18)23-14-16-4-2-1-3-5-16/h1-13,15,23H,14H2,(H,25,26) |
| InChIK | BEKVIKLMPCIWRG-UHFFFAOYSA-N |
| TotalMolweight | 363.847 |
| Molweight | 363.847 |
| MonoisotopicMass | 363.113839 |
| CLogP | 4.8727 |
| CLogS | -5.84 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 287.39 |
| Relative PSA | 0.16518 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 4.9285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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