(Z)-2-(1H-benzimidazol-2-yl)-3-(5-chlorothiophen-2-yl)prop-2-enenitrile
Formula:C14H8N3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(1H-benzimidazol-2-yl)-3-(5-chlorothiophen-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(1H-benzimidazol-2-yl)-3-(5-chlorothiophen-2-yl)prop-2-enenitrile |
| MolecularFormula | C14H8N3ClS |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C/c(s1)ccc1Cl |
| InChI | InChI=1S/C14H8ClN3S/c15-13-6-5-10(19-13)7-9(8-16)14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H,17,18) |
| InChIK | AMSKJZMMLLKMSN-UHFFFAOYSA-N |
| TotalMolweight | 285.758 |
| Molweight | 285.758 |
| MonoisotopicMass | 285.012744 |
| CLogP | 3.499 |
| CLogS | -3.887 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 213.73 |
| Relative PSA | 0.27549 |
| PolarSurfaceArea | 80.71 |
| Druglikeness | -2.2733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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