2-[4-[(E)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethenyl]phenoxy]acetic acid
Formula:C24H17N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethenyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(E)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethenyl]phenoxy]acetic acid |
| MolecularFormula | C24H17N2O4Cl |
| Smiles | OC(COc1ccc(/C=C/C(N2c(cc3)ccc3Cl)=Nc(cccc3)c3C2=O)cc1)=O |
| InChI | InChI=1S/C24H17ClN2O4/c25-17-8-10-18(11-9-17)27-22(26-21-4-2-1-3-20(21)24(27)30)14-7-16-5-12-19(13-6-16)31-15-23(28)29/h1-14H,15H2,(H,28,29) |
| InChIK | WUCMBKTWQYXUQN-UHFFFAOYSA-N |
| TotalMolweight | 432.862 |
| Molweight | 432.862 |
| MonoisotopicMass | 432.087685 |
| CLogP | 3.9761 |
| CLogS | -5.587 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 320.08 |
| Relative PSA | 0.2007 |
| PolarSurfaceArea | 79.2 |
| Druglikeness | 2.042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(E)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethenyl]phenoxy]acetic acid | 2 - 2-[4-[(E)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethenyl]phenoxy]acetic acid
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