3-(2-chlorophenyl)-6-iodo-2-[(E)-2-phenylethenyl]quinazolin-4-one
Formula:C22H14N2OClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2-chlorophenyl)-6-iodo-2-[(E)-2-phenylethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-(2-chlorophenyl)-6-iodo-2-[(E)-2-phenylethenyl]quinazolin-4-one |
| MolecularFormula | C22H14N2OClI |
| Smiles | O=C(c(cc(cc1)I)c1N=C1/C=C/c2ccccc2)N1c(cccc1)c1Cl |
| InChI | InChI=1S/C22H14ClIN2O/c23-18-8-4-5-9-20(18)26-21(13-10-15-6-2-1-3-7-15)25-19-12-11-16(24)14-17(19)22(26)27/h1-14H |
| InChIK | PSCFDLZGCLUKOH-UHFFFAOYSA-N |
| TotalMolweight | 484.719 |
| Molweight | 484.719 |
| MonoisotopicMass | 483.983938 |
| CLogP | 5.3532 |
| CLogS | -6.81 |
| H Acceptors | 3 |
| TotalSurfaceArea | 298.5 |
| Relative PSA | 0.094137 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 2.3613 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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