(3E)-1-(4-fluorophenyl)-3-[(4-nitrophenyl)methylidene]-5-phenylpyrrol-2-one
Formula:C23H15N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-1-(4-fluorophenyl)-3-[(4-nitrophenyl)methylidene]-5-phenylpyrrol-2-one is a drug-like molecule.
| MolName | (3E)-1-(4-fluorophenyl)-3-[(4-nitrophenyl)methylidene]-5-phenylpyrrol-2-one |
| MolecularFormula | C23H15N2O3F |
| Smiles | [O-][N+](c1ccc(/C=C(\C=C(c2ccccc2)N2c(cc3)ccc3F)/C2=O)cc1)=O |
| InChI | InChI=1S/C23H15FN2O3/c24-19-8-12-20(13-9-19)25-22(17-4-2-1-3-5-17)15-18(23(25)27)14-16-6-10-21(11-7-16)26(28)29/h1-15H |
| InChIK | SVPHKDCYOKWCSJ-UHFFFAOYSA-N |
| TotalMolweight | 386.381 |
| Molweight | 386.381 |
| MonoisotopicMass | 386.106671 |
| CLogP | 4.207 |
| CLogS | -5.798 |
| H Acceptors | 5 |
| TotalSurfaceArea | 286.77 |
| Relative PSA | 0.16393 |
| PolarSurfaceArea | 66.13 |
| Druglikeness | -3.3955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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