(Z)-2-(1H-benzimidazol-2-yl)-3-(3-prop-2-ynoxyphenyl)prop-2-enenitrile
Formula:C19H13N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(1H-benzimidazol-2-yl)-3-(3-prop-2-ynoxyphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(1H-benzimidazol-2-yl)-3-(3-prop-2-ynoxyphenyl)prop-2-enenitrile |
| MolecularFormula | C19H13N3O |
| Smiles | C#CCOc1cc(/C=C(\c2nc(cccc3)c3[nH]2)/C#N)ccc1 |
| InChI | InChI=1S/C19H13N3O/c1-2-10-23-16-7-5-6-14(12-16)11-15(13-20)19-21-17-8-3-4-9-18(17)22-19/h1,3-9,11-12H,10H2,(H,21,22) |
| InChIK | LSSPAVIZUVKSGH-UHFFFAOYSA-N |
| TotalMolweight | 299.332 |
| Molweight | 299.332 |
| MonoisotopicMass | 299.105862 |
| CLogP | 2.7789 |
| CLogS | -3.766 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.94 |
| Relative PSA | 0.19413 |
| PolarSurfaceArea | 61.7 |
| Druglikeness | -3.9318 |
| Mutagenic | none |
| 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 | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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