(2Z)-2-[(5-bromo-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one
Formula:C17H10NOBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(5-bromo-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one is a drug-like molecule.
| MolName | (2Z)-2-[(5-bromo-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one |
| MolecularFormula | C17H10NOBrS |
| Smiles | O=C1c(cccc2)c2S/C1=C\c1c[nH]c(cc2)c1cc2Br |
| InChI | InChI=1S/C17H10BrNOS/c18-11-5-6-14-13(8-11)10(9-19-14)7-16-17(20)12-3-1-2-4-15(12)21-16/h1-9,19H |
| InChIK | OTKXJUAHFWTFQN-UHFFFAOYSA-N |
| TotalMolweight | 356.242 |
| Molweight | 356.242 |
| MonoisotopicMass | 354.966645 |
| CLogP | 3.8343 |
| CLogS | -6.115 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 222.27 |
| Relative PSA | 0.2003 |
| PolarSurfaceArea | 58.16 |
| Druglikeness | 0.22376 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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