(E)-3-(4-bromophenyl)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Formula:C18H10N2Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| MolecularFormula | C18H10N2Br2S |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2Br)cs1)=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H10Br2N2S/c19-15-5-1-12(2-6-15)9-14(10-21)18-22-17(11-23-18)13-3-7-16(20)8-4-13/h1-9,11H |
| InChIK | ZCJWWXPBCALPMV-UHFFFAOYSA-N |
| TotalMolweight | 446.165 |
| Molweight | 446.165 |
| MonoisotopicMass | 443.89314 |
| CLogP | 5.3633 |
| CLogS | -6.105 |
| H Acceptors | 2 |
| TotalSurfaceArea | 271.16 |
| Relative PSA | 0.16555 |
| PolarSurfaceArea | 64.92 |
| Druglikeness | -3.4405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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