4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanoate
Formula:C11H10N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanoate is a drug-like molecule.
| MolName | 4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanoate |
| MolecularFormula | C11H10N3O6 |
| Smiles | [O-]C(CCC(NNC(c(cccc1)c1[N+]([O-])=O)=O)=O)=O |
| InChI | InChI=1S/C11H11N3O6/c15-9(5-6-10(16)17)12-13-11(18)7-3-1-2-4-8(7)14(19)20/h1-4H,5-6H2,(H,12,15)(H,13,18)(H,16,17)/p-1 |
| InChIK | LPCPGTBRBNTXQU-UHFFFAOYSA-M |
| TotalMolweight | 280.215 |
| Molweight | 280.215 |
| MonoisotopicMass | 280.056962 |
| CLogP | -3.1913 |
| CLogS | -2.615 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 208.15 |
| Relative PSA | 0.5128 |
| PolarSurfaceArea | 144.15 |
| Druglikeness | -4.4635 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanoate | 2 - 4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanoate
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