(E)-1-(2-bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
Formula:C15H10NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2-bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(2-bromophenyl)-3-(4-nitrophenyl)prop-2-en-1-one |
| MolecularFormula | C15H10NO3Br |
| Smiles | [O-][N+](c1ccc(/C=C/C(c(cccc2)c2Br)=O)cc1)=O |
| InChI | InChI=1S/C15H10BrNO3/c16-14-4-2-1-3-13(14)15(18)10-7-11-5-8-12(9-6-11)17(19)20/h1-10H |
| InChIK | SJVKKHRMJACAKF-UHFFFAOYSA-N |
| TotalMolweight | 332.152 |
| Molweight | 332.152 |
| MonoisotopicMass | 330.984405 |
| CLogP | 3.1074 |
| CLogS | -5.134 |
| H Acceptors | 4 |
| TotalSurfaceArea | 219.57 |
| Relative PSA | 0.19793 |
| PolarSurfaceArea | 62.89 |
| Druglikeness | -6.8376 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| 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 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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