(E)-3-(3-chlorophenyl)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
Formula:C22H13N2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chlorophenyl)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-3-(3-chlorophenyl)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile |
| MolecularFormula | C22H13N2ClS |
| Smiles | N#C/C(/c1nc(-c2cc3ccccc3cc2)cs1)=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C22H13ClN2S/c23-20-7-3-4-15(11-20)10-19(13-24)22-25-21(14-26-22)18-9-8-16-5-1-2-6-17(16)12-18/h1-12,14H |
| InChIK | DJEQLJDGAXEMGE-UHFFFAOYSA-N |
| TotalMolweight | 372.878 |
| Molweight | 372.878 |
| MonoisotopicMass | 372.048795 |
| CLogP | 5.7133 |
| CLogS | -6.779 |
| H Acceptors | 2 |
| TotalSurfaceArea | 283.92 |
| Relative PSA | 0.15811 |
| PolarSurfaceArea | 64.92 |
| Druglikeness | -1.6018 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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