4-chloro-3-[5-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]furan-2-yl]benzoate
Formula:C20H10NO3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
4-chloro-3-[5-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 4-chloro-3-[5-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]furan-2-yl]benzoate |
| MolecularFormula | C20H10NO3Cl2 |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=C\c1ccc(-c(cc(cc2)C([O-])=O)c2Cl)o1 |
| InChI | InChI=1S/C20H11Cl2NO3/c21-15-4-1-12(2-5-15)14(11-23)9-16-6-8-19(26-16)17-10-13(20(24)25)3-7-18(17)22/h1-10H,(H,24,25)/p-1 |
| InChIK | WDOGTOVUVLUALS-UHFFFAOYSA-M |
| TotalMolweight | 383.209 |
| Molweight | 383.209 |
| MonoisotopicMass | 382.003773 |
| CLogP | 2.8926 |
| CLogS | -6.574 |
| H Acceptors | 4 |
| TotalSurfaceArea | 285.01 |
| Relative PSA | 0.19294 |
| PolarSurfaceArea | 77.06 |
| Druglikeness | -3.1475 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| 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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