3-(2,4-dichlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one
Formula:C20H17NO4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2,4-dichlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one is a drug-like molecule.
| MolName | 3-(2,4-dichlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one |
| MolecularFormula | C20H17NO4Cl2 |
| Smiles | Oc(cc1)c(CN2CCOCC2)c(OC=C2c(ccc(Cl)c3)c3Cl)c1C2=O |
| InChI | InChI=1S/C20H17Cl2NO4/c21-12-1-2-13(17(22)9-12)16-11-27-20-14(19(16)25)3-4-18(24)15(20)10-23-5-7-26-8-6-23/h1-4,9,11,24H,5-8,10H2 |
| InChIK | PEWQHHKBCQUOCS-UHFFFAOYSA-N |
| TotalMolweight | 406.264 |
| Molweight | 406.264 |
| MonoisotopicMass | 405.053463 |
| CLogP | 3.1225 |
| CLogS | -4.372 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.77 |
| Relative PSA | 0.17449 |
| PolarSurfaceArea | 59 |
| Druglikeness | 2.3044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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