3-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid
Formula:C23H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid is a drug-like molecule.
| MolName | 3-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid |
| MolecularFormula | C23H16N2O3 |
| Smiles | OC(c1cccc(N(C(/C=C/c2ccccc2)=Nc2c3cccc2)C3=O)c1)=O |
| InChI | InChI=1S/C23H16N2O3/c26-22-19-11-4-5-12-20(19)24-21(14-13-16-7-2-1-3-8-16)25(22)18-10-6-9-17(15-18)23(27)28/h1-15H,(H,27,28) |
| InChIK | APJOSIGSDGFGPD-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 | 0.46429 |
| 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 | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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