(3Z)-3-[(2-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one
Formula:C23H15NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(2-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one |
| MolecularFormula | C23H15NO4 |
| Smiles | [O-][N+](c1c(/C=C(/C=C(c(cc2)ccc2-c2ccccc2)O2)\C2=O)cccc1)=O |
| InChI | InChI=1S/C23H15NO4/c25-23-20(14-19-8-4-5-9-21(19)24(26)27)15-22(28-23)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15H |
| InChIK | OINWNMMCZROPNJ-UHFFFAOYSA-N |
| TotalMolweight | 369.375 |
| Molweight | 369.375 |
| MonoisotopicMass | 369.100109 |
| CLogP | 4.1608 |
| CLogS | -6.223 |
| H Acceptors | 5 |
| TotalSurfaceArea | 280.12 |
| Relative PSA | 0.19085 |
| PolarSurfaceArea | 72.12 |
| Druglikeness | -5.1423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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