(E)-3-(4-chloroanilino)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Formula:C18H10N3Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chloroanilino)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(4-chloroanilino)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| MolecularFormula | C18H10N3Cl3S |
| Smiles | N#C/C(/c1nc(-c(ccc(Cl)c2)c2Cl)cs1)=C\Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C18H10Cl3N3S/c19-12-1-4-14(5-2-12)23-9-11(8-22)18-24-17(10-25-18)15-6-3-13(20)7-16(15)21/h1-7,9-10,23H |
| InChIK | VLWQVKJAXFKPMO-UHFFFAOYSA-N |
| TotalMolweight | 406.723 |
| Molweight | 406.723 |
| MonoisotopicMass | 404.966098 |
| CLogP | 4.9016 |
| CLogS | -6.591 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 291.62 |
| Relative PSA | 0.19323 |
| PolarSurfaceArea | 76.95 |
| Druglikeness | -1.6292 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(4-chloroanilino)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-(4-chloroanilino)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
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