(E)-2-(1H-benzimidazol-2-yl)-3-(1-phenylpyrrol-2-yl)prop-2-enenitrile
Formula:C20H14N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(1-phenylpyrrol-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(1-phenylpyrrol-2-yl)prop-2-enenitrile |
| MolecularFormula | C20H14N4 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cccn1-c1ccccc1 |
| InChI | InChI=1S/C20H14N4/c21-14-15(20-22-18-10-4-5-11-19(18)23-20)13-17-9-6-12-24(17)16-7-2-1-3-8-16/h1-13H,(H,22,23) |
| InChIK | PVWJQWFCGZFDDL-UHFFFAOYSA-N |
| TotalMolweight | 310.359 |
| Molweight | 310.359 |
| MonoisotopicMass | 310.121846 |
| CLogP | 3.0606 |
| CLogS | -5.461 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.33 |
| Relative PSA | 0.1806 |
| PolarSurfaceArea | 57.4 |
| Druglikeness | -2.6298 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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