7-hydroxy-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
Formula:C20H20N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7-hydroxy-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one is a drug-like molecule.
| MolName | 7-hydroxy-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one |
| MolecularFormula | C20H20N2O3 |
| Smiles | Oc(cc1)cc(O2)c1C(CN(CC1)CCN1c1ccccc1)=CC2=O |
| InChI | InChI=1S/C20H20N2O3/c23-17-6-7-18-15(12-20(24)25-19(18)13-17)14-21-8-10-22(11-9-21)16-4-2-1-3-5-16/h1-7,12-13,23H,8-11,14H2 |
| InChIK | UWKOXIDGKAINRQ-UHFFFAOYSA-N |
| TotalMolweight | 336.39 |
| Molweight | 336.39 |
| MonoisotopicMass | 336.147393 |
| CLogP | 2.097 |
| CLogS | -2.34 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 254.23 |
| Relative PSA | 0.17008 |
| PolarSurfaceArea | 53.01 |
| Druglikeness | 3.5523 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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