(E)-2-(1H-benzimidazol-2-yl)-3-(2-oxochromen-3-yl)prop-2-enenitrile
Formula:C19H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-(1H-benzimidazol-2-yl)-3-(2-oxochromen-3-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(2-oxochromen-3-yl)prop-2-enenitrile |
| MolecularFormula | C19H11N3O2 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\C1=Cc(cccc2)c2OC1=O |
| InChI | InChI=1S/C19H11N3O2/c20-11-14(18-21-15-6-2-3-7-16(15)22-18)10-13-9-12-5-1-4-8-17(12)24-19(13)23/h1-10H,(H,21,22) |
| InChIK | DLAHOOMZGMJMHI-UHFFFAOYSA-N |
| TotalMolweight | 313.315 |
| Molweight | 313.315 |
| MonoisotopicMass | 313.085127 |
| CLogP | 2.6657 |
| CLogS | -3.406 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 241.33 |
| Relative PSA | 0.25509 |
| PolarSurfaceArea | 78.77 |
| Druglikeness | -3.1304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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