N-(3-acetylphenyl)-2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
Formula:C23H15N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-acetylphenyl)-2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide is a drug-like molecule.
| MolName | N-(3-acetylphenyl)-2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide |
| MolecularFormula | C23H15N3O6 |
| Smiles | CC(c1cccc(NC(c(cc2)cc(C(N3c4cccc([N+]([O-])=O)c4)=O)c2C3=O)=O)c1)=O |
| InChI | InChI=1S/C23H15N3O6/c1-13(27)14-4-2-5-16(10-14)24-21(28)15-8-9-19-20(11-15)23(30)25(22(19)29)17-6-3-7-18(12-17)26(31)32/h2-12H,1H3,(H,24,28) |
| InChIK | IBVQADBLCWCPMH-UHFFFAOYSA-N |
| TotalMolweight | 429.387 |
| Molweight | 429.387 |
| MonoisotopicMass | 429.096087 |
| CLogP | 2.5859 |
| CLogS | -6.126 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 307.97 |
| Relative PSA | 0.31688 |
| PolarSurfaceArea | 129.37 |
| Druglikeness | -3.2886 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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