(Z)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one
Formula:C15H12NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one |
| MolecularFormula | C15H12NOBr |
| Smiles | O=C(/C=C\Nc(cc1)ccc1Br)c1ccccc1 |
| InChI | InChI=1S/C15H12BrNO/c16-13-6-8-14(9-7-13)17-11-10-15(18)12-4-2-1-3-5-12/h1-11,17H |
| InChIK | DINWXOROCPBAQA-UHFFFAOYSA-N |
| TotalMolweight | 302.17 |
| Molweight | 302.17 |
| MonoisotopicMass | 301.010225 |
| CLogP | 3.1997 |
| CLogS | -4.62 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 207.36 |
| Relative PSA | 0.11815 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.2047 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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