(E)-3-(10-chloroanthracen-9-yl)-2-thiophen-2-ylprop-2-enenitrile
Formula:C21H12NClS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-3-(10-chloroanthracen-9-yl)-2-thiophen-2-ylprop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-3-(10-chloroanthracen-9-yl)-2-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C21H12NClS |
| Smiles | N#C/C(/c1cccs1)=C\c(c1ccccc11)c(cccc2)c2c1Cl |
| InChI | InChI=1S/C21H12ClNS/c22-21-17-8-3-1-6-15(17)19(16-7-2-4-9-18(16)21)12-14(13-23)20-10-5-11-24-20/h1-12H |
| InChIK | GNWLMXZXJIRTQY-UHFFFAOYSA-N |
| TotalMolweight | 345.852 |
| Molweight | 345.852 |
| MonoisotopicMass | 345.037896 |
| CLogP | 6.194 |
| CLogS | -7.587 |
| H Acceptors | 1 |
| TotalSurfaceArea | 260 |
| Relative PSA | 0.13046 |
| PolarSurfaceArea | 52.03 |
| Druglikeness | -2.3928 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.41667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 6 |
| StereoCon |
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