(E)-3-[5-(3-nitrophenyl)furan-2-yl]-1-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
Formula:C23H14N2O7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(3-nitrophenyl)furan-2-yl]-1-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[5-(3-nitrophenyl)furan-2-yl]-1-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C23H14N2O7 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(C(/C=C/c2ccc(-c3cccc([N+]([O-])=O)c3)o2)=O)o1)=O |
| InChI | InChI=1S/C23H14N2O7/c26-20(23-13-12-21(32-23)15-4-6-17(7-5-15)24(27)28)10-8-19-9-11-22(31-19)16-2-1-3-18(14-16)25(29)30/h1-14H |
| InChIK | BJUUPEVIZOSNSR-UHFFFAOYSA-N |
| TotalMolweight | 430.371 |
| Molweight | 430.371 |
| MonoisotopicMass | 430.080103 |
| CLogP | 3.3384 |
| CLogS | -7.68 |
| H Acceptors | 9 |
| TotalSurfaceArea | 323.51 |
| Relative PSA | 0.3156 |
| PolarSurfaceArea | 134.99 |
| Druglikeness | -3.0113 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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