2-[(Z)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzoic acid
Formula:C17H12N3O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzoic acid is not a drug-like molecule.
| MolName | 2-[(Z)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C17H12N3O2Cl |
| Smiles | OC(c1c(/C=N\Nc2c(ccc(Cl)c3)c3ncc2)cccc1)=O |
| InChI | InChI=1S/C17H12ClN3O2/c18-12-5-6-14-15(7-8-19-16(14)9-12)21-20-10-11-3-1-2-4-13(11)17(22)23/h1-10H,(H,19,21)(H,22,23) |
| InChIK | MZFFVYOLPOYTSO-UHFFFAOYSA-N |
| TotalMolweight | 325.754 |
| Molweight | 325.754 |
| MonoisotopicMass | 325.061804 |
| CLogP | 5.0776 |
| CLogS | -4.604 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 242.12 |
| Relative PSA | 0.24814 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 1.9083 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| 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 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzoic acid
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