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C8H10NO4 | Cheminformatics
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(E)-4-morpholin-4-yl-4-oxobut-2-enoate

Molecular Formula : C8H10NO4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-4-morpholin-4-yl-4-oxobut-2-enoate is a drug-like molecule.

MolName : (E)-4-morpholin-4-yl-4-oxobut-2-enoate

MolecularFormula : C8H10NO4

Smiles : [O-]C(/C=C/C(N1CCOCC1)=O)=O

InChI : InChI=1S/C8H11NO4/c10-7(1-2-8(11)12)9-3-5-13-6-4-9/h1-2H,3-6H2,(H,11,12)/p-1

InChIK : FCTFTKXWJQFGLI-UHFFFAOYSA-M

TotalMolweight : 184.17

Molweight : 184.17

MonoisotopicMass : 184.060984

CLogP : -2.8056

CLogS : 0.057

H Acceptors : 5

TotalSurfaceArea : 144.87

Relative PSA : 0.37213

PolarSurfaceArea : 69.67

Druglikeness : 1.7806

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.69231

Fragments : 1

Non HAtoms : 13

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 2

Rings Closures : 1

Small Rings : 1

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 1

AcidicOxygens : 1

StereoCon :

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