(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]pentanedioic acid
Formula:C11H10N4O8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]pentanedioic acid is not a drug-like molecule.
| MolName | (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]pentanedioic acid |
| MolecularFormula | C11H10N4O8 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\CCC(O)=O)/C(O)=O)=O |
| InChI | InChI=1S/C11H10N4O8/c16-10(17)4-3-8(11(18)19)13-12-7-2-1-6(14(20)21)5-9(7)15(22)23/h1-2,5,12H,3-4H2,(H,16,17)(H,18,19) |
| InChIK | DOYHSOVGNCPXDN-UHFFFAOYSA-N |
| TotalMolweight | 326.22 |
| Molweight | 326.22 |
| MonoisotopicMass | 326.049866 |
| CLogP | 0.1396 |
| CLogS | -2.525 |
| H Acceptors | 12 |
| H Donors | 3 |
| TotalSurfaceArea | 230.75 |
| Relative PSA | 0.58977 |
| PolarSurfaceArea | 190.63 |
| Druglikeness | -5.3151 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| AcidicOxygens | 4 |
| StereoCon |
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1 - (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]pentanedioic acid | 2 - (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]pentanedioic acid
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