(2Z)-2-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]pentanedioic acid
Formula:C21H17N3O5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]pentanedioic acid is a drug-like molecule.
| MolName | (2Z)-2-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]pentanedioic acid |
| MolecularFormula | C21H17N3O5 |
| Smiles | OC(CC/C(/C(O)=O)=N/NC(c1cc(-c2ccccc2)nc2ccccc12)=O)=O |
| InChI | InChI=1S/C21H17N3O5/c25-19(26)11-10-17(21(28)29)23-24-20(27)15-12-18(13-6-2-1-3-7-13)22-16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,24,27)(H,25,26)(H,28,29) |
| InChIK | GWOVREAAWUSXLR-UHFFFAOYSA-N |
| TotalMolweight | 391.382 |
| Molweight | 391.382 |
| MonoisotopicMass | 391.116822 |
| CLogP | 2.4097 |
| CLogS | -4.661 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 294.28 |
| Relative PSA | 0.3373 |
| PolarSurfaceArea | 128.95 |
| Druglikeness | 1.5477 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (2Z)-2-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]pentanedioic acid | 2 - (2Z)-2-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]pentanedioic acid
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