2-[(2Z)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol
Formula:C14H8N3OBrCl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(2Z)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol is not a drug-like molecule.
| MolName | 2-[(2Z)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol |
| MolecularFormula | C14H8N3OBrCl2S |
| Smiles | Oc(c(Cl)cc(Cl)c1cc2)c1nc2N/N=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C14H8BrCl2N3OS/c15-7-3-8(22-6-7)5-18-20-12-2-1-9-10(16)4-11(17)14(21)13(9)19-12/h1-6,21H,(H,19,20) |
| InChIK | QNAJVKAABMAMMQ-UHFFFAOYSA-N |
| TotalMolweight | 417.114 |
| Molweight | 417.114 |
| MonoisotopicMass | 414.894847 |
| CLogP | 6.9664 |
| CLogS | -6.4 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 254.36 |
| Relative PSA | 0.26498 |
| PolarSurfaceArea | 85.75 |
| Druglikeness | -1.8664 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol | 2 - 2-[(2Z)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol
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