(3Z)-5-bromo-3-(2-oxocycloheptylidene)-1H-indol-2-one
Formula:C15H14NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-5-bromo-3-(2-oxocycloheptylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-5-bromo-3-(2-oxocycloheptylidene)-1H-indol-2-one |
| MolecularFormula | C15H14NO2Br |
| Smiles | O=C1Nc(ccc(Br)c2)c2/C1=C(\CCCCC1)/C1=O |
| InChI | InChI=1S/C15H14BrNO2/c16-9-6-7-12-11(8-9)14(15(19)17-12)10-4-2-1-3-5-13(10)18/h6-8H,1-5H2,(H,17,19) |
| InChIK | VBLJYJQVBIWHTH-UHFFFAOYSA-N |
| TotalMolweight | 320.185 |
| Molweight | 320.185 |
| MonoisotopicMass | 319.02079 |
| CLogP | 2.5571 |
| CLogS | -3.917 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 203.57 |
| Relative PSA | 0.18441 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | -7.0799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
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