N-[(Z)-[4-[3-(2-chlorophenoxy)propoxy]phenyl]methylideneamino]benzamide
Formula:C23H21N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[3-(2-chlorophenoxy)propoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[3-(2-chlorophenoxy)propoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C23H21N2O3Cl |
| Smiles | O=C(c1ccccc1)N/N=C\c(cc1)ccc1OCCCOc(cccc1)c1Cl |
| InChI | InChI=1S/C23H21ClN2O3/c24-21-9-4-5-10-22(21)29-16-6-15-28-20-13-11-18(12-14-20)17-25-26-23(27)19-7-2-1-3-8-19/h1-5,7-14,17H,6,15-16H2,(H,26,27) |
| InChIK | DHEFQSZYVPBJCF-UHFFFAOYSA-N |
| TotalMolweight | 408.884 |
| Molweight | 408.884 |
| MonoisotopicMass | 408.12407 |
| CLogP | 5.617 |
| CLogS | -5.995 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 323.45 |
| Relative PSA | 0.17316 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 3.6931 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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