(2E)-2-[(5-chloro-2-nitrophenyl)hydrazinylidene]pentanedioic acid
Formula:C11H10N3O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-[(5-chloro-2-nitrophenyl)hydrazinylidene]pentanedioic acid is a drug-like molecule.
| MolName | (2E)-2-[(5-chloro-2-nitrophenyl)hydrazinylidene]pentanedioic acid |
| MolecularFormula | C11H10N3O6Cl |
| Smiles | [O-][N+](c(ccc(Cl)c1)c1N/N=C(\CCC(O)=O)/C(O)=O)=O |
| InChI | InChI=1S/C11H10ClN3O6/c12-6-1-3-9(15(20)21)8(5-6)14-13-7(11(18)19)2-4-10(16)17/h1,3,5,14H,2,4H2,(H,16,17)(H,18,19) |
| InChIK | ZVEIPQJMMWHBQQ-UHFFFAOYSA-N |
| TotalMolweight | 315.668 |
| Molweight | 315.668 |
| MonoisotopicMass | 315.025814 |
| CLogP | 1.6672 |
| CLogS | -2.801 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 222.5 |
| Relative PSA | 0.47492 |
| PolarSurfaceArea | 144.81 |
| Druglikeness | -5.2276 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| AcidicOxygens | 3 |
| StereoCon |
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1 - (2E)-2-[(5-chloro-2-nitrophenyl)hydrazinylidene]pentanedioic acid | 2 - (2E)-2-[(5-chloro-2-nitrophenyl)hydrazinylidene]pentanedioic acid
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