(E)-3-(4-chlorophenyl)-2-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Formula:C24H15N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-(4-chlorophenyl)-2-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-2-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| MolecularFormula | C24H15N2OClS |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2Oc2ccccc2)cs1)=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C24H15ClN2OS/c25-20-10-6-17(7-11-20)14-19(15-26)24-27-23(16-29-24)18-8-12-22(13-9-18)28-21-4-2-1-3-5-21/h1-14,16H |
| InChIK | MEJHSAOWEAAWLA-UHFFFAOYSA-N |
| TotalMolweight | 414.915 |
| Molweight | 414.915 |
| MonoisotopicMass | 414.05936 |
| CLogP | 5.9145 |
| CLogS | -7.47 |
| H Acceptors | 3 |
| TotalSurfaceArea | 319.08 |
| Relative PSA | 0.17203 |
| PolarSurfaceArea | 74.15 |
| Druglikeness | -1.6779 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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