(E)-1-(1H-benzimidazol-2-yl)-4-phenylbut-3-en-2-ol
Formula:C17H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1H-benzimidazol-2-yl)-4-phenylbut-3-en-2-ol is a drug-like molecule.
| MolName | (E)-1-(1H-benzimidazol-2-yl)-4-phenylbut-3-en-2-ol |
| MolecularFormula | C17H16N2O |
| Smiles | OC(Cc1nc(cccc2)c2[nH]1)/C=C/c1ccccc1 |
| InChI | InChI=1S/C17H16N2O/c20-14(11-10-13-6-2-1-3-7-13)12-17-18-15-8-4-5-9-16(15)19-17/h1-11,14,20H,12H2,(H,18,19)/b11-10+/t14-/m1/s1 |
| InChIK | HPAPYULRKWBJBF-PLSXKVAHSA-N |
| TotalMolweight | 264.327 |
| Molweight | 264.327 |
| MonoisotopicMass | 264.126263 |
| CLogP | 3.1138 |
| CLogS | -3.025 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 215.06 |
| Relative PSA | 0.17697 |
| PolarSurfaceArea | 48.91 |
| Druglikeness | 1.2906 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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