(E)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-naphthalen-1-ylprop-2-enenitrile
Formula:C19H14N2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-naphthalen-1-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-naphthalen-1-ylprop-2-enenitrile |
| MolecularFormula | C19H14N2S |
| Smiles | N#C/C(/c1nc(C2CC2)cs1)=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C19H14N2S/c20-11-16(19-21-18(12-22-19)14-8-9-14)10-15-6-3-5-13-4-1-2-7-17(13)15/h1-7,10,12,14H,8-9H2 |
| InChIK | BRYCCVKTKZGABO-UHFFFAOYSA-N |
| TotalMolweight | 302.4 |
| Molweight | 302.4 |
| MonoisotopicMass | 302.087768 |
| CLogP | 4.5219 |
| CLogS | -5.246 |
| H Acceptors | 2 |
| TotalSurfaceArea | 235.26 |
| Relative PSA | 0.19081 |
| PolarSurfaceArea | 64.92 |
| Druglikeness | -1.0091 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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