3-(4-bromophenyl)-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Formula:C21H13N3OBrI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-bromophenyl)-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-(4-bromophenyl)-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one |
| MolecularFormula | C21H13N3OBrI |
| Smiles | O=C(c(cc(cc1)I)c1N=C1/C=C/c2cnccc2)N1c(cc1)ccc1Br |
| InChI | InChI=1S/C21H13BrIN3O/c22-15-4-7-17(8-5-15)26-20(10-3-14-2-1-11-24-13-14)25-19-9-6-16(23)12-18(19)21(26)27/h1-13H |
| InChIK | LGBITOMZBMDSGD-UHFFFAOYSA-N |
| TotalMolweight | 530.158 |
| Molweight | 530.158 |
| MonoisotopicMass | 528.928671 |
| CLogP | 4.4715 |
| CLogS | -6.113 |
| H Acceptors | 4 |
| TotalSurfaceArea | 300.47 |
| Relative PSA | 0.13003 |
| PolarSurfaceArea | 45.56 |
| Druglikeness | 0.5154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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