(Z)-2-(1-bromonaphthalen-2-yl)-3-phenylprop-2-enoic acid
Formula:C19H13O2Br
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
(Z)-2-(1-bromonaphthalen-2-yl)-3-phenylprop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-2-(1-bromonaphthalen-2-yl)-3-phenylprop-2-enoic acid |
| MolecularFormula | C19H13O2Br |
| Smiles | OC(/C(/c(ccc1ccccc11)c1Br)=C\c1ccccc1)=O |
| InChI | InChI=1S/C19H13BrO2/c20-18-15-9-5-4-8-14(15)10-11-16(18)17(19(21)22)12-13-6-2-1-3-7-13/h1-12H,(H,21,22) |
| InChIK | HZOGWAHONUTUJN-UHFFFAOYSA-N |
| TotalMolweight | 353.214 |
| Molweight | 353.214 |
| MonoisotopicMass | 352.009891 |
| CLogP | 4.7303 |
| CLogS | -5.396 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 235.06 |
| Relative PSA | 0.11121 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -1.5058 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| 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 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-(1-bromonaphthalen-2-yl)-3-phenylprop-2-enoic acid | 2 - (Z)-2-(1-bromonaphthalen-2-yl)-3-phenylprop-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off