(Z)-3-[5-(4-nitrophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
Formula:C19H12N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-3-[5-(4-nitrophenyl)furan-2-yl]-2-phenylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-[5-(4-nitrophenyl)furan-2-yl]-2-phenylprop-2-enenitrile |
| MolecularFormula | C19H12N2O3 |
| Smiles | N#C/C(/c1ccccc1)=C\c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1 |
| InChI | InChI=1S/C19H12N2O3/c20-13-16(14-4-2-1-3-5-14)12-18-10-11-19(24-18)15-6-8-17(9-7-15)21(22)23/h1-12H |
| InChIK | FTIRALXFEHSHDR-UHFFFAOYSA-N |
| TotalMolweight | 316.315 |
| Molweight | 316.315 |
| MonoisotopicMass | 316.084793 |
| CLogP | 3.3499 |
| CLogS | -5.549 |
| H Acceptors | 5 |
| TotalSurfaceArea | 252.56 |
| Relative PSA | 0.23 |
| PolarSurfaceArea | 82.75 |
| Druglikeness | -8.6596 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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