(E)-3-(4-bromophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
Formula:C19H13O2Br
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(E)-3-(4-bromophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one |
| MolecularFormula | C19H13O2Br |
| Smiles | Oc(c1ccccc1cc1)c1C(/C=C/c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C19H13BrO2/c20-15-9-5-13(6-10-15)7-12-18(21)17-11-8-14-3-1-2-4-16(14)19(17)22/h1-12,22H |
| InChIK | CTFQJSNBWVLXAC-UHFFFAOYSA-N |
| TotalMolweight | 353.214 |
| Molweight | 353.214 |
| MonoisotopicMass | 352.009891 |
| CLogP | 4.8777 |
| CLogS | -5.984 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 236.85 |
| Relative PSA | 0.11037 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -1.6564 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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