(2E)-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one
Molecular Formula : C20H19NO2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2E)-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one is a drug-like molecule.
MolName : (2E)-2-[morpholin-4-yl(phenyl)methylidene]-3H-inden-1-one |
MolecularFormula : C20H19NO2 |
Smiles : O=C(/C(/C1)=C(\c2ccccc2)/N2CCOCC2)c2c1cccc2 |
InChI : InChI=1S/C20H19NO2/c22-20-17-9-5-4-8-16(17)14-18(20)19(15-6-2-1-3-7-15)21-10-12-23-13-11-21/h1-9H,10-14H2 |
InChIK : YRFZUSRRVUUYIW-UHFFFAOYSA-N |
TotalMolweight : 305.376 |
Molweight : 305.376 |
MonoisotopicMass : 305.141579 |
CLogP : 3.1549 |
CLogS : -3.243 |
H Acceptors : 3 |
TotalSurfaceArea : 235.79 |
Relative PSA : 0.11277 |
PolarSurfaceArea : 29.54 |
Druglikeness : 2.8476 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.43478 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 2 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 4 |
StereoCon : |