(E)-2-[4-(4-bromophenyl)-1,3-selenazol-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile
Formula:C18H10N2BrClSe
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-[4-(4-bromophenyl)-1,3-selenazol-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-[4-(4-bromophenyl)-1,3-selenazol-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile |
| MolecularFormula | C18H10N2BrClSe |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2Br)c[se]1)=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H10BrClN2Se/c19-15-5-3-13(4-6-15)17-11-23-18(22-17)14(10-21)9-12-1-7-16(20)8-2-12/h1-9,11H |
| InChIK | AZVKLHNIIIEKFA-UHFFFAOYSA-N |
| TotalMolweight | 448.608 |
| Molweight | 448.608 |
| MonoisotopicMass | 447.888106 |
| CLogP | 4.9291 |
| CLogS | -4.341 |
| H Acceptors | 2 |
| TotalSurfaceArea | 247.59 |
| Relative PSA | 0.099075 |
| PolarSurfaceArea | 36.68 |
| Druglikeness | -9.2425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| 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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1 - (E)-2-[4-(4-bromophenyl)-1,3-selenazol-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile | 2 - (E)-2-[4-(4-bromophenyl)-1,3-selenazol-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile
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