(E)-1-(4-bromophenyl)-3-(3,4-dichloroanilino)prop-2-en-1-one
Formula:C15H10NOBrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-(3,4-dichloroanilino)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-(3,4-dichloroanilino)prop-2-en-1-one |
| MolecularFormula | C15H10NOBrCl2 |
| Smiles | O=C(/C=C/Nc(cc1)cc(Cl)c1Cl)c(cc1)ccc1Br |
| InChI | InChI=1S/C15H10BrCl2NO/c16-11-3-1-10(2-4-11)15(20)7-8-19-12-5-6-13(17)14(18)9-12/h1-9,19H |
| InChIK | BYAPPSXALJWLRG-UHFFFAOYSA-N |
| TotalMolweight | 371.06 |
| Molweight | 371.06 |
| MonoisotopicMass | 368.932279 |
| CLogP | 4.4117 |
| CLogS | -6.092 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 238.2 |
| Relative PSA | 0.10285 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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