[(E)-[(5E)-5-benzoyloxyimino-4,6-dioxocyclohex-2-en-1-ylidene]amino] benzoate
Formula:C20H12N2O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[(5E)-5-benzoyloxyimino-4,6-dioxocyclohex-2-en-1-ylidene]amino] benzoate is a drug-like molecule.
| MolName | [(E)-[(5E)-5-benzoyloxyimino-4,6-dioxocyclohex-2-en-1-ylidene]amino] benzoate |
| MolecularFormula | C20H12N2O6 |
| Smiles | O=C(c1ccccc1)O/N=C(\C=CC(/C1=N\OC(c2ccccc2)=O)=O)/C1=O |
| InChI | InChI=1S/C20H12N2O6/c23-16-12-11-15(21-27-19(25)13-7-3-1-4-8-13)18(24)17(16)22-28-20(26)14-9-5-2-6-10-14/h1-12H |
| InChIK | CWJQZXAZDYVZSW-UHFFFAOYSA-N |
| TotalMolweight | 376.323 |
| Molweight | 376.323 |
| MonoisotopicMass | 376.069538 |
| CLogP | 3.5934 |
| CLogS | -4.192 |
| H Acceptors | 8 |
| TotalSurfaceArea | 282.96 |
| Relative PSA | 0.33637 |
| PolarSurfaceArea | 111.46 |
| Druglikeness | -0.51084 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[(5E)-5-benzoyloxyimino-4,6-dioxocyclohex-2-en-1-ylidene]amino] benzoate | 2 - [(E)-[(5E)-5-benzoyloxyimino-4,6-dioxocyclohex-2-en-1-ylidene]amino] benzoate
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