(E)-1-(1,3-benzothiazol-2-yl)-1,3-diphenylprop-2-en-1-ol
Formula:C22H17NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1,3-benzothiazol-2-yl)-1,3-diphenylprop-2-en-1-ol is a drug-like molecule.
| MolName | (E)-1-(1,3-benzothiazol-2-yl)-1,3-diphenylprop-2-en-1-ol |
| MolecularFormula | C22H17NOS |
| Smiles | OC(/C=C/c1ccccc1)(c1nc(cccc2)c2s1)c1ccccc1 |
| InChI | InChI=1S/C22H17NOS/c24-22(18-11-5-2-6-12-18,16-15-17-9-3-1-4-10-17)21-23-19-13-7-8-14-20(19)25-21/h1-16,24H/t22-/m1/s1 |
| InChIK | LXUNHGPWRBNEMY-JOCHJYFZSA-N |
| TotalMolweight | 343.449 |
| Molweight | 343.449 |
| MonoisotopicMass | 343.103084 |
| CLogP | 4.4815 |
| CLogS | -4.664 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 265.34 |
| Relative PSA | 0.16745 |
| PolarSurfaceArea | 61.36 |
| Druglikeness | 1.5758 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-1-(1,3-benzothiazol-2-yl)-1,3-diphenylprop-2-en-1-ol | 2 - (E)-1-(1,3-benzothiazol-2-yl)-1,3-diphenylprop-2-en-1-ol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off