4-chloro-N-[(Z)-[4-[2-oxo-2-(4-phenylphenyl)ethoxy]phenyl]methylideneamino]benzamide
Formula:C28H21N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-[4-[2-oxo-2-(4-phenylphenyl)ethoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-[4-[2-oxo-2-(4-phenylphenyl)ethoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C28H21N2O3Cl |
| Smiles | O=C(COc1ccc(/C=N\NC(c(cc2)ccc2Cl)=O)cc1)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C28H21ClN2O3/c29-25-14-12-24(13-15-25)28(33)31-30-18-20-6-16-26(17-7-20)34-19-27(32)23-10-8-22(9-11-23)21-4-2-1-3-5-21/h1-18H,19H2,(H,31,33) |
| InChIK | BQGGKOZEHFOHBY-UHFFFAOYSA-N |
| TotalMolweight | 468.939 |
| Molweight | 468.939 |
| MonoisotopicMass | 468.12407 |
| CLogP | 6.3567 |
| CLogS | -8.177 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 363.44 |
| Relative PSA | 0.16248 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.9496 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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