(Z)-2-(1H-benzimidazol-2-yl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile
Formula:C18H16N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-2-(1H-benzimidazol-2-yl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(1H-benzimidazol-2-yl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enenitrile |
| MolecularFormula | C18H16N4O |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C/c1ccc(N2CCCC2)o1 |
| InChI | InChI=1S/C18H16N4O/c19-12-13(18-20-15-5-1-2-6-16(15)21-18)11-14-7-8-17(23-14)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10H2,(H,20,21) |
| InChIK | HTCYIZAAQZORMV-UHFFFAOYSA-N |
| TotalMolweight | 304.352 |
| Molweight | 304.352 |
| MonoisotopicMass | 304.132411 |
| CLogP | 2.8528 |
| CLogS | -4.053 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 243.9 |
| Relative PSA | 0.23034 |
| PolarSurfaceArea | 68.85 |
| Druglikeness | -0.49347 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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