2-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]acetic acid
Formula:C18H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]acetic acid is a drug-like molecule.
| MolName | 2-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]acetic acid |
| MolecularFormula | C18H14N2O3 |
| Smiles | OC(CN(C(/C=C/c1ccccc1)=Nc1c2cccc1)C2=O)=O |
| InChI | InChI=1S/C18H14N2O3/c21-17(22)12-20-16(11-10-13-6-2-1-3-7-13)19-15-9-5-4-8-14(15)18(20)23/h1-11H,12H2,(H,21,22) |
| InChIK | LEWHILHHPCTYPQ-UHFFFAOYSA-N |
| TotalMolweight | 306.32 |
| Molweight | 306.32 |
| MonoisotopicMass | 306.100443 |
| CLogP | 1.9449 |
| CLogS | -2.988 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.9 |
| Relative PSA | 0.23091 |
| PolarSurfaceArea | 69.97 |
| Druglikeness | -2.6707 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]acetic acid | 2 - 2-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]acetic acid
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