4-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]benzoic acid
Formula:C17H12N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C17H12N3O2Cl |
| Smiles | OC(c(cc1)ccc1N/N=C\c1cc2ccccc2nc1Cl)=O |
| InChI | InChI=1S/C17H12ClN3O2/c18-16-13(9-12-3-1-2-4-15(12)20-16)10-19-21-14-7-5-11(6-8-14)17(22)23/h1-10,21H,(H,22,23) |
| InChIK | IEFQXBVSDWMOGI-UHFFFAOYSA-N |
| TotalMolweight | 325.754 |
| Molweight | 325.754 |
| MonoisotopicMass | 325.061804 |
| CLogP | 5.3454 |
| CLogS | -4.367 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 242.12 |
| Relative PSA | 0.24814 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 1.9083 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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