2-[(E)-2-(4-chlorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one
Formula:C26H16N2OClI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(4-chlorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-chlorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one |
| MolecularFormula | C26H16N2OClI |
| Smiles | O=C(c(cc(cc1)I)c1N=C1/C=C/c(cc2)ccc2Cl)N1c1cccc2ccccc12 |
| InChI | InChI=1S/C26H16ClIN2O/c27-19-11-8-17(9-12-19)10-15-25-29-23-14-13-20(28)16-22(23)26(31)30(25)24-7-3-5-18-4-1-2-6-21(18)24/h1-16H |
| InChIK | HKLFSSLLGIYYHW-UHFFFAOYSA-N |
| TotalMolweight | 534.779 |
| Molweight | 534.779 |
| MonoisotopicMass | 533.999588 |
| CLogP | 6.5476 |
| CLogS | -8.416 |
| H Acceptors | 3 |
| TotalSurfaceArea | 333.1 |
| Relative PSA | 0.084359 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 2.3613 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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