(E)-1-(1H-benzimidazol-2-yl)-3-quinolin-6-ylprop-2-en-1-one
Formula:C19H13N3O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1H-benzimidazol-2-yl)-3-quinolin-6-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(1H-benzimidazol-2-yl)-3-quinolin-6-ylprop-2-en-1-one |
| MolecularFormula | C19H13N3O |
| Smiles | O=C(/C=C/c1cc2cccnc2cc1)c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C19H13N3O/c23-18(19-21-16-5-1-2-6-17(16)22-19)10-8-13-7-9-15-14(12-13)4-3-11-20-15/h1-12H,(H,21,22) |
| InChIK | HLYBQONWHWKIMU-UHFFFAOYSA-N |
| TotalMolweight | 299.332 |
| Molweight | 299.332 |
| MonoisotopicMass | 299.105862 |
| CLogP | 3.1089 |
| CLogS | -4.041 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 233.56 |
| Relative PSA | 0.20967 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 1.9984 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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