(Z)-3-[5-(3-chlorophenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
Formula:C19H11N2O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(Z)-3-[5-(3-chlorophenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-[5-(3-chlorophenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile |
| MolecularFormula | C19H11N2O3Cl |
| Smiles | N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C\c1ccc(-c2cccc(Cl)c2)o1 |
| InChI | InChI=1S/C19H11ClN2O3/c20-16-3-1-2-14(10-16)19-9-8-18(25-19)11-15(12-21)13-4-6-17(7-5-13)22(23)24/h1-11H |
| InChIK | COMHSRZXDVYRCN-UHFFFAOYSA-N |
| TotalMolweight | 350.76 |
| Molweight | 350.76 |
| MonoisotopicMass | 350.04582 |
| CLogP | 3.9559 |
| CLogS | -6.285 |
| H Acceptors | 5 |
| TotalSurfaceArea | 267.98 |
| Relative PSA | 0.21677 |
| PolarSurfaceArea | 82.75 |
| Druglikeness | -8.5642 |
| 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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