4-[(2Z)-2-(quinolin-6-ylmethylidene)hydrazinyl]benzoic acid
Formula:C17H13N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(quinolin-6-ylmethylidene)hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-(quinolin-6-ylmethylidene)hydrazinyl]benzoic acid |
| MolecularFormula | C17H13N3O2 |
| Smiles | OC(c(cc1)ccc1N/N=C\c1cc2cccnc2cc1)=O |
| InChI | InChI=1S/C17H13N3O2/c21-17(22)13-4-6-15(7-5-13)20-19-11-12-3-8-16-14(10-12)2-1-9-18-16/h1-11,20H,(H,21,22) |
| InChIK | IOHLOODRGXFUDM-UHFFFAOYSA-N |
| TotalMolweight | 291.309 |
| Molweight | 291.309 |
| MonoisotopicMass | 291.100777 |
| CLogP | 4.642 |
| CLogS | -3.868 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 226.7 |
| Relative PSA | 0.26502 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 1.861 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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