6-nitro-2-[(Z)-(3-nitrophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
Formula:C19H10N4O6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
6-nitro-2-[(Z)-(3-nitrophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione is a drug-like molecule.
| MolName | 6-nitro-2-[(Z)-(3-nitrophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione |
| MolecularFormula | C19H10N4O6 |
| Smiles | [O-][N+](c1cccc(/C=N\N(C(c(cccc23)c2c2ccc3[N+]([O-])=O)=O)C2=O)c1)=O |
| InChI | InChI=1S/C19H10N4O6/c24-18-14-6-2-5-13-16(23(28)29)8-7-15(17(13)14)19(25)21(18)20-10-11-3-1-4-12(9-11)22(26)27/h1-10H |
| InChIK | ZFMNJFFIMKZFRK-UHFFFAOYSA-N |
| TotalMolweight | 390.31 |
| Molweight | 390.31 |
| MonoisotopicMass | 390.060036 |
| CLogP | 2.0029 |
| CLogS | -6.108 |
| H Acceptors | 10 |
| TotalSurfaceArea | 272.02 |
| Relative PSA | 0.3749 |
| PolarSurfaceArea | 141.38 |
| Druglikeness | -1.3922 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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