(E)-3-(4-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Formula:C18H11N2IS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(4-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile |
| MolecularFormula | C18H11N2IS |
| Smiles | N#C/C(/c1nc(-c2ccccc2)cs1)=C\c(cc1)ccc1I |
| InChI | InChI=1S/C18H11IN2S/c19-16-8-6-13(7-9-16)10-15(11-20)18-21-17(12-22-18)14-4-2-1-3-5-14/h1-10,12H |
| InChIK | XGVBSGKVUGZIEZ-UHFFFAOYSA-N |
| TotalMolweight | 414.265 |
| Molweight | 414.265 |
| MonoisotopicMass | 413.968766 |
| CLogP | 4.35 |
| CLogS | -5.453 |
| H Acceptors | 2 |
| TotalSurfaceArea | 260.18 |
| Relative PSA | 0.17253 |
| PolarSurfaceArea | 64.92 |
| Druglikeness | -1.1363 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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