(2Z)-2-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]pentanedioic acid
Formula:C22H19N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2Z)-2-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]pentanedioic acid is a drug-like molecule.
| MolName | (2Z)-2-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]pentanedioic acid |
| MolecularFormula | C22H19N3O6 |
| Smiles | OC(CC/C(/C(O)=O)=N/NC(c1ccc(COc2cccc3cccnc23)cc1)=O)=O |
| InChI | InChI=1S/C22H19N3O6/c26-19(27)11-10-17(22(29)30)24-25-21(28)16-8-6-14(7-9-16)13-31-18-5-1-3-15-4-2-12-23-20(15)18/h1-9,12H,10-11,13H2,(H,25,28)(H,26,27)(H,29,30) |
| InChIK | KVYMUYGDBFPGNJ-UHFFFAOYSA-N |
| TotalMolweight | 421.408 |
| Molweight | 421.408 |
| MonoisotopicMass | 421.127387 |
| CLogP | 2.0076 |
| CLogS | -4.224 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 318.04 |
| Relative PSA | 0.34354 |
| PolarSurfaceArea | 138.18 |
| Druglikeness | 1.4283 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]pentanedioic acid | 2 - (2Z)-2-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]pentanedioic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off