naphthalen-1-ylmethyl (E)-3-(3-bromophenyl)prop-2-enoate
Formula:C20H15O2Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
naphthalen-1-ylmethyl (E)-3-(3-bromophenyl)prop-2-enoate is not a drug-like molecule.
| MolName | naphthalen-1-ylmethyl (E)-3-(3-bromophenyl)prop-2-enoate |
| MolecularFormula | C20H15O2Br |
| Smiles | O=C(/C=C/c1cccc(Br)c1)OCc1cccc2ccccc12 |
| InChI | InChI=1S/C20H15BrO2/c21-18-9-3-5-15(13-18)11-12-20(22)23-14-17-8-4-7-16-6-1-2-10-19(16)17/h1-13H,14H2 |
| InChIK | CNLACVUKRUCAFR-UHFFFAOYSA-N |
| TotalMolweight | 367.241 |
| Molweight | 367.241 |
| MonoisotopicMass | 366.025541 |
| CLogP | 5.2395 |
| CLogS | -5.89 |
| H Acceptors | 2 |
| TotalSurfaceArea | 254.26 |
| Relative PSA | 0.090616 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -4.9932 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon |
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