(Z)-2-bromo-1-(4-bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
Formula:C15H9NO3Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-bromo-1-(4-bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-2-bromo-1-(4-bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one |
| MolecularFormula | C15H9NO3Br2 |
| Smiles | [O-][N+](c1ccc(/C=C(/C(c(cc2)ccc2Br)=O)\Br)cc1)=O |
| InChI | InChI=1S/C15H9Br2NO3/c16-12-5-3-11(4-6-12)15(19)14(17)9-10-1-7-13(8-2-10)18(20)21/h1-9H |
| InChIK | JVVPFBKBVWQHEB-UHFFFAOYSA-N |
| TotalMolweight | 411.048 |
| Molweight | 411.048 |
| MonoisotopicMass | 408.894916 |
| CLogP | 3.7 |
| CLogS | -5.967 |
| H Acceptors | 4 |
| TotalSurfaceArea | 236.41 |
| Relative PSA | 0.18383 |
| PolarSurfaceArea | 62.89 |
| Druglikeness | -13.349 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; 2-halo-enone |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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