(E)-2-cyano-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(4-phenylphenyl)prop-2-enamide
Formula:C23H15N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(4-phenylphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(4-phenylphenyl)prop-2-enamide |
| MolecularFormula | C23H15N3OCl2 |
| Smiles | N#C/C(/C(N/N=C\c(cc1)cc(Cl)c1Cl)=O)=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C23H15Cl2N3O/c24-21-11-8-17(13-22(21)25)15-27-28-23(29)20(14-26)12-16-6-9-19(10-7-16)18-4-2-1-3-5-18/h1-13,15H,(H,28,29) |
| InChIK | AJOPZZAUTDXFKE-UHFFFAOYSA-N |
| TotalMolweight | 420.298 |
| Molweight | 420.298 |
| MonoisotopicMass | 419.059216 |
| CLogP | 6.254 |
| CLogS | -7.921 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 324.01 |
| Relative PSA | 0.15299 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | 1.0024 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (E)-2-cyano-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(4-phenylphenyl)prop-2-enamide | 2 - (E)-2-cyano-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(4-phenylphenyl)prop-2-enamide
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