(2Z)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid
Formula:C16H14N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2Z)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid is a drug-like molecule.
| MolName | (2Z)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid |
| MolecularFormula | C16H14N2O6 |
| Smiles | OC(CC/C(/C(O)=O)=N/NC(c1cc2ccccc2cc1O)=O)=O |
| InChI | InChI=1S/C16H14N2O6/c19-13-8-10-4-2-1-3-9(10)7-11(13)15(22)18-17-12(16(23)24)5-6-14(20)21/h1-4,7-8,19H,5-6H2,(H,18,22)(H,20,21)(H,23,24) |
| InChIK | QAQBPIRKEXIQAS-UHFFFAOYSA-N |
| TotalMolweight | 330.295 |
| Molweight | 330.295 |
| MonoisotopicMass | 330.085188 |
| CLogP | 1.1922 |
| CLogS | -3.487 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 242.11 |
| Relative PSA | 0.41878 |
| PolarSurfaceArea | 136.29 |
| Druglikeness | 1.5477 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (2Z)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid | 2 - (2Z)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid
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