(2Z)-2-[5-amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)acetonitrile
Formula:C18H10N2O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(2Z)-2-[5-amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)acetonitrile is a drug-like molecule.
| MolName | (2Z)-2-[5-amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)acetonitrile |
| MolecularFormula | C18H10N2O2Cl2 |
| Smiles | NC(O/C(/C1=O)=C(/c(cc2)ccc2Cl)\C#N)=C1c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H10Cl2N2O2/c19-12-5-1-10(2-6-12)14(9-21)17-16(23)15(18(22)24-17)11-3-7-13(20)8-4-11/h1-8H,22H2 |
| InChIK | XAWHATZWRGMNAN-UHFFFAOYSA-N |
| TotalMolweight | 357.195 |
| Molweight | 357.195 |
| MonoisotopicMass | 356.011932 |
| CLogP | 3.2796 |
| CLogS | -6.218 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 254.18 |
| Relative PSA | 0.20407 |
| PolarSurfaceArea | 76.11 |
| Druglikeness | -3.7786 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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