(E)-3-(2-phenylmethoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Formula:C25H18N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-phenylmethoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-3-(2-phenylmethoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile |
| MolecularFormula | C25H18N2OS |
| Smiles | N#C/C(/c1nc(-c2ccccc2)cs1)=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C25H18N2OS/c26-16-22(25-27-23(18-29-25)20-11-5-2-6-12-20)15-21-13-7-8-14-24(21)28-17-19-9-3-1-4-10-19/h1-15,18H,17H2 |
| InChIK | RXFLSTRBUIDZLI-UHFFFAOYSA-N |
| TotalMolweight | 394.497 |
| Molweight | 394.497 |
| MonoisotopicMass | 394.113983 |
| CLogP | 5.261 |
| CLogS | -5.778 |
| H Acceptors | 3 |
| TotalSurfaceArea | 317.42 |
| Relative PSA | 0.17293 |
| PolarSurfaceArea | 74.15 |
| Druglikeness | -1.9402 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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