(E)-1-(4-bromophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
Formula:C17H12NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one |
| MolecularFormula | C17H12NOBr |
| Smiles | O=C(/C=C/c1c[nH]c2c1cccc2)c(cc1)ccc1Br |
| InChI | InChI=1S/C17H12BrNO/c18-14-8-5-12(6-9-14)17(20)10-7-13-11-19-16-4-2-1-3-15(13)16/h1-11,19H |
| InChIK | DVZIOCNFAKCQMB-UHFFFAOYSA-N |
| TotalMolweight | 326.192 |
| Molweight | 326.192 |
| MonoisotopicMass | 325.010225 |
| CLogP | 4.0684 |
| CLogS | -5.199 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 220.07 |
| Relative PSA | 0.12282 |
| PolarSurfaceArea | 32.86 |
| Druglikeness | -0.83367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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