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C15H16N2O5 | Cheminformatics

(E)-4-[2-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid

Molecular Formula : C15H16N2O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-4-[2-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName : (E)-4-[2-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid

MolecularFormula : C15H16N2O5

Smiles : OC(/C=C/C(Nc(cccc1)c1C(N1CCOCC1)=O)=O)=O

InChI : InChI=1S/C15H16N2O5/c18-13(5-6-14(19)20)16-12-4-2-1-3-11(12)15(21)17-7-9-22-10-8-17/h1-6H,7-10H2,(H,16,18)(H,19,20)

InChIK : KSSVCKCLSNBZLR-UHFFFAOYSA-N

TotalMolweight : 304.301

Molweight : 304.301

MonoisotopicMass : 304.105923

CLogP : 0.4179

CLogS : -1.455

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 232.66

Relative PSA : 0.33194

PolarSurfaceArea : 95.94

Druglikeness : 3.0849

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.59091

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 2

AcidicOxygens : 1

StereoCon :

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