(Z)-4-(4-chlorophenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid
Formula:C19H12NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(4-chlorophenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid is a drug-like molecule.
| MolName | (Z)-4-(4-chlorophenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid |
| MolecularFormula | C19H12NO3Cl |
| Smiles | OC(C(/C(/c1nc2ccccc2cc1)=C\c(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C19H12ClNO3/c20-14-8-5-12(6-9-14)11-15(18(22)19(23)24)17-10-7-13-3-1-2-4-16(13)21-17/h1-11H,(H,23,24) |
| InChIK | KBKAOLPWNGAQBG-UHFFFAOYSA-N |
| TotalMolweight | 337.761 |
| Molweight | 337.761 |
| MonoisotopicMass | 337.050571 |
| CLogP | 3.1881 |
| CLogS | -4.344 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 248.36 |
| Relative PSA | 0.20192 |
| PolarSurfaceArea | 67.26 |
| Druglikeness | -6.4247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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