2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-2-ylquinazolin-4-one
Formula:C26H16N2OFI
Mutagenic:low
Tumorigenic:high
Reproductive Effective:low
2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-2-ylquinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-2-ylquinazolin-4-one |
| MolecularFormula | C26H16N2OFI |
| Smiles | O=C(c(cc(cc1)I)c1N=C1/C=C/c(cccc2)c2F)N1c1cc2ccccc2cc1 |
| InChI | InChI=1S/C26H16FIN2O/c27-23-8-4-3-6-18(23)10-14-25-29-24-13-11-20(28)16-22(24)26(31)30(25)21-12-9-17-5-1-2-7-19(17)15-21/h1-16H |
| InChIK | MWODPURRRGJVPI-UHFFFAOYSA-N |
| TotalMolweight | 518.324 |
| Molweight | 518.324 |
| MonoisotopicMass | 518.029139 |
| CLogP | 6.0424 |
| CLogS | -7.994 |
| H Acceptors | 3 |
| TotalSurfaceArea | 324.03 |
| Relative PSA | 0.08672 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 0.9654 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-2-ylquinazolin-4-one | 2 - 2-[(E)-2-(2-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-2-ylquinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off