3-(4-bromophenyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Formula:C21H14N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-bromophenyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-(4-bromophenyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one |
| MolecularFormula | C21H14N3OBr |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2cnccc2)N1c(cc1)ccc1Br |
| InChI | InChI=1S/C21H14BrN3O/c22-16-8-10-17(11-9-16)25-20(12-7-15-4-3-13-23-14-15)24-19-6-2-1-5-18(19)21(25)26/h1-14H |
| InChIK | RIQNNPJSMWQXPW-UHFFFAOYSA-N |
| TotalMolweight | 404.266 |
| Molweight | 404.266 |
| MonoisotopicMass | 403.032023 |
| CLogP | 4.0344 |
| CLogS | -5.097 |
| H Acceptors | 4 |
| TotalSurfaceArea | 274.19 |
| Relative PSA | 0.14249 |
| PolarSurfaceArea | 45.56 |
| Druglikeness | -0.043669 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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