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C18H18N2O3 10-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one | Chemryt

10-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one

Molecular Formula : C18H18N2O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 10-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one

MolecularFormula : C18H18N2O3

Smiles : O=C(/C=C/C1=Cc(cccc2CC3)c2N3C1=O)N1CCOCC1

InChI : InChI=1S/C18H18N2O3/c21-16(19-8-10-23-11-9-19)5-4-15-12-14-3-1-2-13-6-7-20(17(13)14)18(15)22/h1-5,12H,6-11H2

InChIK : ZOGINZWKZPVJOC-UHFFFAOYSA-N

TotalMolweight : 310.352

Molweight : 310.352

MonoisotopicMass : 310.131743

CLogP : 1.5611

CLogS : -2.345

H Acceptors : 5

TotalSurfaceArea : 232.63

Relative PSA : 0.18562

PolarSurfaceArea : 49.85

Druglikeness : 2.7852

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.56522

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 2

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 2

Request More Details | 10-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one


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