6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one
Formula:C20H18N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one is a drug-like molecule.
| MolName | 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one |
| MolecularFormula | C20H18N2O3Cl2 |
| Smiles | Oc(cc(c(C(CN(CC1)CCN1c1cc(Cl)ccc1)=C1)c2)OC1=O)c2Cl |
| InChI | InChI=1S/C20H18Cl2N2O3/c21-14-2-1-3-15(9-14)24-6-4-23(5-7-24)12-13-8-20(26)27-19-11-18(25)17(22)10-16(13)19/h1-3,8-11,25H,4-7,12H2 |
| InChIK | GTUOWMVGGKXAHN-UHFFFAOYSA-N |
| TotalMolweight | 405.28 |
| Molweight | 405.28 |
| MonoisotopicMass | 404.069447 |
| CLogP | 3.309 |
| CLogS | -3.812 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.07 |
| Relative PSA | 0.15168 |
| PolarSurfaceArea | 53.01 |
| Druglikeness | 3.5833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| 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 | 8 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one | 2 - 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off