(E)-2-(4-bromophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
Formula:C19H11N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(E)-2-(4-bromophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-bromophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile |
| MolecularFormula | C19H11N2O3Br |
| Smiles | N#C/C(/c(cc1)ccc1Br)=C/c1ccc(-c2cc([N+]([O-])=O)ccc2)o1 |
| InChI | InChI=1S/C19H11BrN2O3/c20-16-6-4-13(5-7-16)15(12-21)11-18-8-9-19(25-18)14-2-1-3-17(10-14)22(23)24/h1-11H |
| InChIK | WIMDTDVAOKBCKO-UHFFFAOYSA-N |
| TotalMolweight | 395.211 |
| Molweight | 395.211 |
| MonoisotopicMass | 393.995304 |
| CLogP | 4.0751 |
| CLogS | -6.383 |
| H Acceptors | 5 |
| TotalSurfaceArea | 271.19 |
| Relative PSA | 0.2142 |
| PolarSurfaceArea | 82.75 |
| Druglikeness | -10.45 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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