(Z)-2-(1H-benzimidazol-2-yl)-3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]prop-2-enenitrile
Formula:C20H12N3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(1H-benzimidazol-2-yl)-3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-2-(1H-benzimidazol-2-yl)-3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]prop-2-enenitrile |
| MolecularFormula | C20H12N3ClS2 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C/c1ccc(Sc(cc2)ccc2Cl)s1 |
| InChI | InChI=1S/C20H12ClN3S2/c21-14-5-7-15(8-6-14)25-19-10-9-16(26-19)11-13(12-22)20-23-17-3-1-2-4-18(17)24-20/h1-11H,(H,23,24) |
| InChIK | LCWLSDNORFXRPI-UHFFFAOYSA-N |
| TotalMolweight | 393.921 |
| Molweight | 393.921 |
| MonoisotopicMass | 393.016114 |
| CLogP | 5.3201 |
| CLogS | -5.673 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 290.98 |
| Relative PSA | 0.26246 |
| PolarSurfaceArea | 106.01 |
| Druglikeness | -2.3628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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