(3Z)-5-bromo-3-(cyclohex-3-en-1-ylmethylidene)-1H-indol-2-one
Formula:C15H14NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-5-bromo-3-(cyclohex-3-en-1-ylmethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-5-bromo-3-(cyclohex-3-en-1-ylmethylidene)-1H-indol-2-one |
| MolecularFormula | C15H14NOBr |
| Smiles | O=C1Nc(ccc(Br)c2)c2/C1=C/C1CC=CCC1 |
| InChI | InChI=1S/C15H14BrNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h1-2,6-10H,3-5H2,(H,17,18)/t10-/m1/s1 |
| InChIK | RWRHFNFMKNPHAB-SNVBAGLBSA-N |
| TotalMolweight | 304.186 |
| Molweight | 304.186 |
| MonoisotopicMass | 303.025875 |
| CLogP | 2.9432 |
| CLogS | -4.073 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 199.09 |
| Relative PSA | 0.12306 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -4.2243 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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