3-(4-chlorophenyl)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]propanoic acid
Formula:C20H16NO6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-(4-chlorophenyl)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]propanoic acid is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]propanoic acid |
| MolecularFormula | C20H16NO6Cl |
| Smiles | OC(C(Cc(cc1)ccc1Cl)NC(CC(c(ccc(O)c1)c1O1)=CC1=O)=O)=O |
| InChI | InChI=1S/C20H16ClNO6/c21-13-3-1-11(2-4-13)7-16(20(26)27)22-18(24)8-12-9-19(25)28-17-10-14(23)5-6-15(12)17/h1-6,9-10,16,23H,7-8H2,(H,22,24)(H,26,27)/t16-/m0/s1 |
| InChIK | DFTXDUVOVZLMJZ-INIZCTEOSA-N |
| TotalMolweight | 401.801 |
| Molweight | 401.801 |
| MonoisotopicMass | 401.066616 |
| CLogP | 1.8989 |
| CLogS | -3.564 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 287.08 |
| Relative PSA | 0.30229 |
| PolarSurfaceArea | 112.93 |
| Druglikeness | -10.274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 3-(4-chlorophenyl)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]propanoic acid | 2 - 3-(4-chlorophenyl)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]propanoic acid
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