(3Z)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1-pyridin-3-ylpyrrol-2-one
Formula:C26H17N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3Z)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1-pyridin-3-ylpyrrol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1-pyridin-3-ylpyrrol-2-one |
| MolecularFormula | C26H17N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=C(/C=C(c2ccccc2)N2c3cnccc3)\C2=O)o1)=O |
| InChI | InChI=1S/C26H17N3O4/c30-26-20(15-23-12-13-25(33-23)19-8-10-21(11-9-19)29(31)32)16-24(18-5-2-1-3-6-18)28(26)22-7-4-14-27-17-22/h1-17H |
| InChIK | OSSMVEKTMIYETA-UHFFFAOYSA-N |
| TotalMolweight | 435.438 |
| Molweight | 435.438 |
| MonoisotopicMass | 435.121907 |
| CLogP | 4.0442 |
| CLogS | -6.149 |
| H Acceptors | 7 |
| TotalSurfaceArea | 328.63 |
| Relative PSA | 0.21937 |
| PolarSurfaceArea | 92.16 |
| Druglikeness | -1.0814 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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