(Z)-2-(1,3-benzothiazol-2-yl)-3-(3-prop-2-ynoxyphenyl)prop-2-enenitrile
Formula:C19H12N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(1,3-benzothiazol-2-yl)-3-(3-prop-2-ynoxyphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(1,3-benzothiazol-2-yl)-3-(3-prop-2-ynoxyphenyl)prop-2-enenitrile |
| MolecularFormula | C19H12N2OS |
| Smiles | C#CCOc1cccc(/C=C(\c2nc(cccc3)c3s2)/C#N)c1 |
| InChI | InChI=1S/C19H12N2OS/c1-2-10-22-16-7-5-6-14(12-16)11-15(13-20)19-21-17-8-3-4-9-18(17)23-19/h1,3-9,11-12H,10H2 |
| InChIK | OEQCBRNOGZVYBJ-UHFFFAOYSA-N |
| TotalMolweight | 316.383 |
| Molweight | 316.383 |
| MonoisotopicMass | 316.067033 |
| CLogP | 3.297 |
| CLogS | -4.535 |
| H Acceptors | 3 |
| TotalSurfaceArea | 256.31 |
| Relative PSA | 0.21415 |
| PolarSurfaceArea | 74.15 |
| Druglikeness | -3.2367 |
| 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 | 1 |
| StereoCon |
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