3-hydroxy-3-[(Z)-2-oxo-4-phenylbut-3-enyl]-1H-indol-2-one
Formula:C18H15NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-3-[(Z)-2-oxo-4-phenylbut-3-enyl]-1H-indol-2-one is a drug-like molecule.
| MolName | 3-hydroxy-3-[(Z)-2-oxo-4-phenylbut-3-enyl]-1H-indol-2-one |
| MolecularFormula | C18H15NO3 |
| Smiles | OC(CC(/C=C\c1ccccc1)=O)(c(cccc1)c1N1)C1=O |
| InChI | InChI=1S/C18H15NO3/c20-14(11-10-13-6-2-1-3-7-13)12-18(22)15-8-4-5-9-16(15)19-17(18)21/h1-11,22H,12H2,(H,19,21)/t18-/m0/s1 |
| InChIK | MZINGTHCWKKIDW-SFHVURJKSA-N |
| TotalMolweight | 293.321 |
| Molweight | 293.321 |
| MonoisotopicMass | 293.105194 |
| CLogP | 2.0643 |
| CLogS | -3.605 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 223.5 |
| Relative PSA | 0.22658 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 4.0587 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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