9-[(E)-2-naphthalen-1-ylethenyl]-9H-xanthene
Formula:C25H18O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
9-[(E)-2-naphthalen-1-ylethenyl]-9H-xanthene is not a drug-like molecule.
| MolName | 9-[(E)-2-naphthalen-1-ylethenyl]-9H-xanthene |
| MolecularFormula | C25H18O |
| Smiles | C(C1c(cccc2)c2Oc2c1cccc2)=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C25H18O/c1-2-11-20-18(8-1)9-7-10-19(20)16-17-21-22-12-3-5-14-24(22)26-25-15-6-4-13-23(21)25/h1-17,21H |
| InChIK | CHTBCNNYZXPTGW-UHFFFAOYSA-N |
| TotalMolweight | 334.417 |
| Molweight | 334.417 |
| MonoisotopicMass | 334.135765 |
| CLogP | 6.4861 |
| CLogS | -7.625 |
| H Acceptors | 1 |
| TotalSurfaceArea | 262.88 |
| Relative PSA | 0.03804 |
| PolarSurfaceArea | 9.23 |
| Druglikeness | -1.3142 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - 9-[(E)-2-naphthalen-1-ylethenyl]-9H-xanthene | 2 - 9-[(E)-2-naphthalen-1-ylethenyl]-9H-xanthene
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off