1-[(7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methyl]pyrrolidine-2-carboxylic acid
Formula:C21H19NO6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methyl]pyrrolidine-2-carboxylic acid is a drug-like molecule.
| MolName | 1-[(7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methyl]pyrrolidine-2-carboxylic acid |
| MolecularFormula | C21H19NO6 |
| Smiles | OC(C1N(Cc(c(OC=C2Oc3ccccc3)c(cc3)C2=O)c3O)CCC1)=O |
| InChI | InChI=1S/C21H19NO6/c23-17-9-8-14-19(24)18(28-13-5-2-1-3-6-13)12-27-20(14)15(17)11-22-10-4-7-16(22)21(25)26/h1-3,5-6,8-9,12,16,23H,4,7,10-11H2,(H,25,26)/t16-/m0/s1 |
| InChIK | CUDSZBUCKSGWDD-INIZCTEOSA-N |
| TotalMolweight | 381.383 |
| Molweight | 381.383 |
| MonoisotopicMass | 381.121239 |
| CLogP | 1.0448 |
| CLogS | -3.803 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 276.77 |
| Relative PSA | 0.27398 |
| PolarSurfaceArea | 96.3 |
| Druglikeness | 1.8477 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 1-[(7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methyl]pyrrolidine-2-carboxylic acid | 2 - 1-[(7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methyl]pyrrolidine-2-carboxylic acid
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