(2Z)-2-[(2-fluorobenzoyl)hydrazinylidene]pentanedioic acid
Formula:C12H11N2O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2Z)-2-[(2-fluorobenzoyl)hydrazinylidene]pentanedioic acid is a drug-like molecule.
| MolName | (2Z)-2-[(2-fluorobenzoyl)hydrazinylidene]pentanedioic acid |
| MolecularFormula | C12H11N2O5F |
| Smiles | OC(CC/C(/C(O)=O)=N/NC(c(cccc1)c1F)=O)=O |
| InChI | InChI=1S/C12H11FN2O5/c13-8-4-2-1-3-7(8)11(18)15-14-9(12(19)20)5-6-10(16)17/h1-4H,5-6H2,(H,15,18)(H,16,17)(H,19,20) |
| InChIK | CNLAHGPQLUAQIB-UHFFFAOYSA-N |
| TotalMolweight | 282.226 |
| Molweight | 282.226 |
| MonoisotopicMass | 282.065201 |
| CLogP | 0.4443 |
| CLogS | -2.491 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 207.51 |
| Relative PSA | 0.42547 |
| PolarSurfaceArea | 116.06 |
| Druglikeness | 0.20766 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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