(E)-1-(1-benzofuran-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Formula:C17H11NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1-benzofuran-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(1-benzofuran-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one |
| MolecularFormula | C17H11NO4 |
| Smiles | [O-][N+](c1cc(/C=C/C(c2cc(cccc3)c3o2)=O)ccc1)=O |
| InChI | InChI=1S/C17H11NO4/c19-15(17-11-13-5-1-2-7-16(13)22-17)9-8-12-4-3-6-14(10-12)18(20)21/h1-11H |
| InChIK | LVFQHTGZZRBKAE-UHFFFAOYSA-N |
| TotalMolweight | 293.277 |
| Molweight | 293.277 |
| MonoisotopicMass | 293.068809 |
| CLogP | 2.8878 |
| CLogS | -5.483 |
| H Acceptors | 5 |
| TotalSurfaceArea | 225.23 |
| Relative PSA | 0.25561 |
| PolarSurfaceArea | 76.03 |
| Druglikeness | -4.1931 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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