(E)-2-(1H-benzimidazol-2-yl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enenitrile
Formula:C20H12N3OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enenitrile |
| MolecularFormula | C20H12N3OCl |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c2cccc(Cl)c2)o1 |
| InChI | InChI=1S/C20H12ClN3O/c21-15-5-3-4-13(10-15)19-9-8-16(25-19)11-14(12-22)20-23-17-6-1-2-7-18(17)24-20/h1-11H,(H,23,24) |
| InChIK | CXVQSJNLXCTCHP-UHFFFAOYSA-N |
| TotalMolweight | 345.788 |
| Molweight | 345.788 |
| MonoisotopicMass | 345.066889 |
| CLogP | 4.3666 |
| CLogS | -5.32 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.24 |
| Relative PSA | 0.19694 |
| PolarSurfaceArea | 65.61 |
| Druglikeness | -2.4917 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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