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C22H22N2O4 | Cheminformatics

4-[3-[(Z)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Molecular Formula : C22H22N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
4-[3-[(Z)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is a drug-like molecule.

MolName : 4-[3-[(Z)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

MolecularFormula : C22H22N2O4

Smiles : O=C(/C=C\c1cccc(N(C(C2C3C4C=CC2C4)=O)C3=O)c1)N1CCOCC1

InChI : InChI=1S/C22H22N2O4/c25-18(23-8-10-28-11-9-23)7-4-14-2-1-3-17(12-14)24-21(26)19-15-5-6-16(13-15)20(19)22(24)27/h1-7,12,15-16,19-20H,8-11,13H2

InChIK : GXNVKMBLTGVBOU-UHFFFAOYSA-N

TotalMolweight : 378.427

Molweight : 378.427

MonoisotopicMass : 378.157958

CLogP : 1.5791

CLogS : -3.236

H Acceptors : 6

TotalSurfaceArea : 274.91

Relative PSA : 0.2045

PolarSurfaceArea : 66.92

Druglikeness : 2.5226

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : low

Nasty Functions :

Shape Index : 0.53571

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 6

Electronegative Atoms : 6

StereoCenters : 4

Rotatable Bond : 3

Rings Closures : 5

Small Rings : 6

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 10

Symmetricatoms : 7

Amides : 2

StereoCon : unknown chirality

Request More Details | 4-[3-[(Z)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione


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