(2Z)-4-chloro-2-[(4-phenylpiperazin-1-yl)methylidene]-3H-inden-1-one
Formula:C20H19N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-4-chloro-2-[(4-phenylpiperazin-1-yl)methylidene]-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-4-chloro-2-[(4-phenylpiperazin-1-yl)methylidene]-3H-inden-1-one |
| MolecularFormula | C20H19N2OCl |
| Smiles | O=C1c2cccc(Cl)c2C/C1=C/N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C20H19ClN2O/c21-19-8-4-7-17-18(19)13-15(20(17)24)14-22-9-11-23(12-10-22)16-5-2-1-3-6-16/h1-8,14H,9-13H2 |
| InChIK | LMQPEFFOPZAEAT-UHFFFAOYSA-N |
| TotalMolweight | 338.837 |
| Molweight | 338.837 |
| MonoisotopicMass | 338.11859 |
| CLogP | 3.5789 |
| CLogS | -4.24 |
| H Acceptors | 3 |
| TotalSurfaceArea | 253.3 |
| Relative PSA | 0.07951 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 5.4826 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-4-chloro-2-[(4-phenylpiperazin-1-yl)methylidene]-3H-inden-1-one | 2 - (2Z)-4-chloro-2-[(4-phenylpiperazin-1-yl)methylidene]-3H-inden-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off