N-[(Z)-[3-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C28H20N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C28H20N4O5 |
| Smiles | N#Cc(cc(cc1)[N+]([O-])=O)c1Oc1cc(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)ccc1 |
| InChI | InChI=1S/C28H20N4O5/c29-18-21-17-24(32(35)36)14-15-26(21)37-25-13-7-8-20(16-25)19-30-31-27(33)28(34,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-17,19,34H,(H,31,33) |
| InChIK | HMRFKVMCCUOXOY-UHFFFAOYSA-N |
| TotalMolweight | 492.49 |
| Molweight | 492.49 |
| MonoisotopicMass | 492.143371 |
| CLogP | 3.7915 |
| CLogS | -7.957 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 378.65 |
| Relative PSA | 0.27226 |
| PolarSurfaceArea | 140.53 |
| Druglikeness | -4.0248 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[3-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-[3-(2-cyano-4-nitrophenoxy)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
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