N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide
Formula:C23H21N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C23H21N2O2Cl |
| Smiles | O=C(CCc1ccccc1)N/N=C\c(cc1)ccc1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C23H21ClN2O2/c24-21-11-6-20(7-12-21)17-28-22-13-8-19(9-14-22)16-25-26-23(27)15-10-18-4-2-1-3-5-18/h1-9,11-14,16H,10,15,17H2,(H,26,27) |
| InChIK | VMJOCLPWNXZNIE-UHFFFAOYSA-N |
| TotalMolweight | 392.885 |
| Molweight | 392.885 |
| MonoisotopicMass | 392.129155 |
| CLogP | 5.6082 |
| CLogS | -6.033 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 313.45 |
| Relative PSA | 0.14679 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.9149 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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