(2Z)-2-benzylidene-3-piperidin-1-yl-3H-inden-1-one
Formula:C21H21NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-benzylidene-3-piperidin-1-yl-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-2-benzylidene-3-piperidin-1-yl-3H-inden-1-one |
| MolecularFormula | C21H21NO |
| Smiles | O=C(/C(/C1N2CCCCC2)=C\c2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C21H21NO/c23-21-18-12-6-5-11-17(18)20(22-13-7-2-8-14-22)19(21)15-16-9-3-1-4-10-16/h1,3-6,9-12,15,20H,2,7-8,13-14H2/t20-/m0/s1 |
| InChIK | BAHQYEATYGDCKK-FQEVSTJZSA-N |
| TotalMolweight | 303.404 |
| Molweight | 303.404 |
| MonoisotopicMass | 303.162314 |
| CLogP | 4.298 |
| CLogS | -4.051 |
| H Acceptors | 2 |
| TotalSurfaceArea | 240.08 |
| Relative PSA | 0.069102 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 1.8591 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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