N-[(Z)-[4-[(2-cyanophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C29H22N3O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-cyanophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-cyanophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C29H22N3O3I |
| Smiles | N#Cc1c(COc(ccc(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)c2)c2I)cccc1 |
| InChI | InChI=1S/C29H22IN3O3/c30-26-17-21(15-16-27(26)36-20-23-10-8-7-9-22(23)18-31)19-32-33-28(34)29(35,24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-17,19,35H,20H2,(H,33,34) |
| InChIK | KKSSSGSIUKOIHM-UHFFFAOYSA-N |
| TotalMolweight | 587.412 |
| Molweight | 587.412 |
| MonoisotopicMass | 587.07059 |
| CLogP | 5.1027 |
| CLogS | -7.557 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 395.02 |
| Relative PSA | 0.18397 |
| PolarSurfaceArea | 94.71 |
| Druglikeness | 1.265 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - N-[(Z)-[4-[(2-cyanophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-[4-[(2-cyanophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
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