3-(4-hydroxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
Formula:C22H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-hydroxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-(4-hydroxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one |
| MolecularFormula | C22H16N2O2 |
| Smiles | Oc(cc1)ccc1N(C(/C=C/c1ccccc1)=Nc1c2cccc1)C2=O |
| InChI | InChI=1S/C22H16N2O2/c25-18-13-11-17(12-14-18)24-21(15-10-16-6-2-1-3-7-16)23-20-9-5-4-8-19(20)22(24)26/h1-15,25H |
| InChIK | UODHAIKICSVODS-UHFFFAOYSA-N |
| TotalMolweight | 340.381 |
| Molweight | 340.381 |
| MonoisotopicMass | 340.121178 |
| CLogP | 3.9644 |
| CLogS | -4.762 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 263.15 |
| Relative PSA | 0.15656 |
| PolarSurfaceArea | 52.9 |
| Druglikeness | 1.7563 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 3-(4-hydroxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one | 2 - 3-(4-hydroxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
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