(Z)-3-(5-bromothiophen-2-yl)-2-naphthalen-2-ylprop-2-enenitrile
Formula:C17H10NBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(5-bromothiophen-2-yl)-2-naphthalen-2-ylprop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-(5-bromothiophen-2-yl)-2-naphthalen-2-ylprop-2-enenitrile |
| MolecularFormula | C17H10NBrS |
| Smiles | N#C/C(/c1cc2ccccc2cc1)=C\c(s1)ccc1Br |
| InChI | InChI=1S/C17H10BrNS/c18-17-8-7-16(20-17)10-15(11-19)14-6-5-12-3-1-2-4-13(12)9-14/h1-10H |
| InChIK | FKQFODFYVYBBBT-UHFFFAOYSA-N |
| TotalMolweight | 340.243 |
| Molweight | 340.243 |
| MonoisotopicMass | 338.97173 |
| CLogP | 5.3235 |
| CLogS | -6.096 |
| H Acceptors | 1 |
| TotalSurfaceArea | 228.61 |
| Relative PSA | 0.14837 |
| PolarSurfaceArea | 52.03 |
| Druglikeness | -6.7075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| StereoCon |
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