2-[(E)-2-phenylethenyl]hexahelicene
Formula:C34H22
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
2-[(E)-2-phenylethenyl]hexahelicene is not a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]hexahelicene |
| MolecularFormula | C34H22 |
| Smiles | C(c1ccccc1)=C/c1cc2c3c4c5c6ccccc6ccc5ccc4ccc3ccc2cc1 |
| InChI | InChI=1S/C34H22/c1-2-6-23(7-3-1)10-11-24-12-13-26-15-17-28-19-21-29-20-18-27-16-14-25-8-4-5-9-30(25)32(27)34(29)33(28)31(26)22-24/h1-22H |
| InChIK | CBAHLCAIBAMLQE-UHFFFAOYSA-N |
| TotalMolweight | 430.549 |
| Molweight | 430.549 |
| MonoisotopicMass | 430.17215 |
| CLogP | 9.8386 |
| CLogS | -11.782 |
| TotalSurfaceArea | 332.52 |
| Druglikeness | -1.7224 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| Rotatable Bond | 2 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 7 |
| Aromatic Atoms | 32 |
| Symmetricatoms | 2 |
| StereoCon |
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