1-[(3-fluorophenyl)methyl]-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]indol-2-one
Formula:C27H22NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(3-fluorophenyl)methyl]-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]indol-2-one is a drug-like molecule.
| MolName | 1-[(3-fluorophenyl)methyl]-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]indol-2-one |
| MolecularFormula | C27H22NO3F |
| Smiles | OC(CC(/C=C/C=C/c1ccccc1)=O)(c(cccc1)c1N1Cc2cccc(F)c2)C1=O |
| InChI | InChI=1S/C27H22FNO3/c28-22-13-8-12-21(17-22)19-29-25-16-7-6-15-24(25)27(32,26(29)31)18-23(30)14-5-4-11-20-9-2-1-3-10-20/h1-17,32H,18-19H2/t27-/m0/s1 |
| InChIK | GUSNRNDBVDHXCS-MHZLTWQESA-N |
| TotalMolweight | 427.474 |
| Molweight | 427.474 |
| MonoisotopicMass | 427.158372 |
| CLogP | 4.5981 |
| CLogS | -5.53 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 328.71 |
| Relative PSA | 0.12999 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 4.1057 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 1-[(3-fluorophenyl)methyl]-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]indol-2-one | 2 - 1-[(3-fluorophenyl)methyl]-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]indol-2-one
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