4-nitro-N'-(3-oxoinden-1-yl)benzohydrazide
Formula:C16H11N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N'-(3-oxoinden-1-yl)benzohydrazide is a drug-like molecule.
| MolName | 4-nitro-N'-(3-oxoinden-1-yl)benzohydrazide |
| MolecularFormula | C16H11N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(NNC(c1c2cccc1)=CC2=O)=O)=O |
| InChI | InChI=1S/C16H11N3O4/c20-15-9-14(12-3-1-2-4-13(12)15)17-18-16(21)10-5-7-11(8-6-10)19(22)23/h1-9,17H,(H,18,21) |
| InChIK | DJIKFAWWYPKUGW-UHFFFAOYSA-N |
| TotalMolweight | 309.28 |
| Molweight | 309.28 |
| MonoisotopicMass | 309.074957 |
| CLogP | 0.9289 |
| CLogS | -4.428 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 226.32 |
| Relative PSA | 0.35092 |
| PolarSurfaceArea | 104.02 |
| Druglikeness | -1.9895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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