1-nitro-2-[(Z)-(phenylhydrazinylidene)methyl]anthracene-9,10-dione
Formula:C21H13N3O4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
1-nitro-2-[(Z)-(phenylhydrazinylidene)methyl]anthracene-9,10-dione is not a drug-like molecule.
| MolName | 1-nitro-2-[(Z)-(phenylhydrazinylidene)methyl]anthracene-9,10-dione |
| MolecularFormula | C21H13N3O4 |
| Smiles | [O-][N+](c(c(/C=N\Nc1ccccc1)ccc1C(c2c3cccc2)=O)c1C3=O)=O |
| InChI | InChI=1S/C21H13N3O4/c25-20-15-8-4-5-9-16(15)21(26)18-17(20)11-10-13(19(18)24(27)28)12-22-23-14-6-2-1-3-7-14/h1-12,23H |
| InChIK | RNSRWRQUIWDJBS-UHFFFAOYSA-N |
| TotalMolweight | 371.351 |
| Molweight | 371.351 |
| MonoisotopicMass | 371.090607 |
| CLogP | 5.2931 |
| CLogS | -6.723 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 274.67 |
| Relative PSA | 0.28933 |
| PolarSurfaceArea | 104.35 |
| Druglikeness | -2.731 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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