3-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]chromen-4-one
Formula:C18H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]chromen-4-one is a drug-like molecule.
| MolName | 3-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]chromen-4-one |
| MolecularFormula | C18H12N2O2 |
| Smiles | O=C1c(cccc2)c2OC=C1/C=C/c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C18H12N2O2/c21-18-12(11-22-16-8-4-1-5-13(16)18)9-10-17-19-14-6-2-3-7-15(14)20-17/h1-11H,(H,19,20) |
| InChIK | XGOJXERVFIYCHB-UHFFFAOYSA-N |
| TotalMolweight | 288.305 |
| Molweight | 288.305 |
| MonoisotopicMass | 288.089878 |
| CLogP | 3.1114 |
| CLogS | -3.817 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 221.41 |
| Relative PSA | 0.21679 |
| PolarSurfaceArea | 54.98 |
| Druglikeness | 1.2605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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