2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol
Formula:C18H11NO3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol is not a drug-like molecule.
| MolName | 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol |
| MolecularFormula | C18H11NO3Cl2 |
| Smiles | Oc(c1nc(/C=C/c(cc2)cc3c2OCO3)ccc1c(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H11Cl2NO3/c19-13-8-14(20)18(22)17-12(13)5-4-11(21-17)3-1-10-2-6-15-16(7-10)24-9-23-15/h1-8,22H,9H2 |
| InChIK | SSLATJAKRCCSGL-UHFFFAOYSA-N |
| TotalMolweight | 360.195 |
| Molweight | 360.195 |
| MonoisotopicMass | 359.011598 |
| CLogP | 5.2143 |
| CLogS | -6.369 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 250.33 |
| Relative PSA | 0.17605 |
| PolarSurfaceArea | 51.58 |
| Druglikeness | -1.239 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol | 2 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol
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