N-[(Z)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C28H21N3O5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C28H21N3O5Cl2 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)c1OCc(c(Cl)ccc1)c1Cl)=O |
| InChI | InChI=1S/C28H21Cl2N3O5/c29-24-12-7-13-25(30)23(24)18-38-26-15-14-22(33(36)37)16-19(26)17-31-32-27(34)28(35,20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-17,35H,18H2,(H,32,34) |
| InChIK | CNQQEHIJEHHZNW-UHFFFAOYSA-N |
| TotalMolweight | 550.397 |
| Molweight | 550.397 |
| MonoisotopicMass | 549.085826 |
| CLogP | 5.1204 |
| CLogS | -7.7 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 401.54 |
| Relative PSA | 0.22297 |
| PolarSurfaceArea | 116.74 |
| Druglikeness | 0.10366 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 11 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
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