4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one
Formula:C20H19N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one is a drug-like molecule.
| MolName | 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one |
| MolecularFormula | C20H19N2O3Cl |
| Smiles | Oc(cc1)cc(O2)c1C(CN(CC1)CCN1c1cccc(Cl)c1)=CC2=O |
| InChI | InChI=1S/C20H19ClN2O3/c21-15-2-1-3-16(11-15)23-8-6-22(7-9-23)13-14-10-20(25)26-19-12-17(24)4-5-18(14)19/h1-5,10-12,24H,6-9,13H2 |
| InChIK | RGKKHICENIILRF-UHFFFAOYSA-N |
| TotalMolweight | 370.835 |
| Molweight | 370.835 |
| MonoisotopicMass | 370.10842 |
| CLogP | 2.703 |
| CLogS | -3.076 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.65 |
| Relative PSA | 0.16036 |
| PolarSurfaceArea | 53.01 |
| Druglikeness | 3.5833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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