(2Z)-2-[(4-nitrophenyl)hydrazinylidene]pentanedioic acid
Formula:C11H11N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2Z)-2-[(4-nitrophenyl)hydrazinylidene]pentanedioic acid is a drug-like molecule.
| MolName | (2Z)-2-[(4-nitrophenyl)hydrazinylidene]pentanedioic acid |
| MolecularFormula | C11H11N3O6 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C(/CCC(O)=O)\C(O)=O)=O |
| InChI | InChI=1S/C11H11N3O6/c15-10(16)6-5-9(11(17)18)13-12-7-1-3-8(4-2-7)14(19)20/h1-4,12H,5-6H2,(H,15,16)(H,17,18) |
| InChIK | JCSHJOVLJPJVLY-UHFFFAOYSA-N |
| TotalMolweight | 281.223 |
| Molweight | 281.223 |
| MonoisotopicMass | 281.064787 |
| CLogP | 1.0612 |
| CLogS | -2.065 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 207.08 |
| Relative PSA | 0.51029 |
| PolarSurfaceArea | 144.81 |
| Druglikeness | -5.3151 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 3 |
| StereoCon |
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