4-[(2Z)-2-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]hydrazinyl]benzoic acid
Formula:C19H14N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[(2Z)-2-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C19H14N3O4Cl |
| Smiles | OC(c(cc1)ccc1N/N=C\c(c(Cl)nc1c2)cc1cc1c2OCCO1)=O |
| InChI | InChI=1S/C19H14ClN3O4/c20-18-13(10-21-23-14-3-1-11(2-4-14)19(24)25)7-12-8-16-17(9-15(12)22-18)27-6-5-26-16/h1-4,7-10,23H,5-6H2,(H,24,25) |
| InChIK | BIZGKIVEVRIRNO-UHFFFAOYSA-N |
| TotalMolweight | 383.79 |
| Molweight | 383.79 |
| MonoisotopicMass | 383.067284 |
| CLogP | 5.3242 |
| CLogS | -4.549 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 276.14 |
| Relative PSA | 0.29 |
| PolarSurfaceArea | 93.04 |
| Druglikeness | -5.276 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(2Z)-2-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-[(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]hydrazinyl]benzoic acid
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