4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid
Formula:C23H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid is a drug-like molecule.
| MolName | 4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid |
| MolecularFormula | C23H16N2O3 |
| Smiles | OC(c(cc1)ccc1N(C(/C=C/c1ccccc1)=Nc1c2cccc1)C2=O)=O |
| InChI | InChI=1S/C23H16N2O3/c26-22-19-8-4-5-9-20(19)24-21(15-10-16-6-2-1-3-7-16)25(22)18-13-11-17(12-14-18)23(27)28/h1-15H,(H,27,28) |
| InChIK | CLMUJDJFMCAVDV-UHFFFAOYSA-N |
| TotalMolweight | 368.391 |
| Molweight | 368.391 |
| MonoisotopicMass | 368.116093 |
| CLogP | 3.7952 |
| CLogS | -5.071 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 280.9 |
| Relative PSA | 0.19309 |
| PolarSurfaceArea | 69.97 |
| Druglikeness | 1.6495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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