6-iodo-3-naphthalen-1-yl-2-[(E)-2-phenylethenyl]quinazolin-4-one
Formula:C26H17N2OI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
6-iodo-3-naphthalen-1-yl-2-[(E)-2-phenylethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 6-iodo-3-naphthalen-1-yl-2-[(E)-2-phenylethenyl]quinazolin-4-one |
| MolecularFormula | C26H17N2OI |
| Smiles | O=C(c(cc(cc1)I)c1N=C1/C=C/c2ccccc2)N1c1cccc2ccccc12 |
| InChI | InChI=1S/C26H17IN2O/c27-20-14-15-23-22(17-20)26(30)29(24-12-6-10-19-9-4-5-11-21(19)24)25(28-23)16-13-18-7-2-1-3-8-18/h1-17H |
| InChIK | IENUQUSMCKVZDB-UHFFFAOYSA-N |
| TotalMolweight | 500.334 |
| Molweight | 500.334 |
| MonoisotopicMass | 500.038561 |
| CLogP | 5.9416 |
| CLogS | -7.68 |
| H Acceptors | 3 |
| TotalSurfaceArea | 317.68 |
| Relative PSA | 0.088454 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 2.3054 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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