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C11H12N2O4S | Cheminformatics

(E)-1-morpholin-4-yl-3-(5-nitrothiophen-2-yl)prop-2-en-1-one

Molecular Formula : C11H12N2O4S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-morpholin-4-yl-3-(5-nitrothiophen-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName : (E)-1-morpholin-4-yl-3-(5-nitrothiophen-2-yl)prop-2-en-1-one

MolecularFormula : C11H12N2O4S

Smiles : [O-][N+](c1ccc(/C=C/C(N2CCOCC2)=O)s1)=O

InChI : InChI=1S/C11H12N2O4S/c14-10(12-5-7-17-8-6-12)3-1-9-2-4-11(18-9)13(15)16/h1-4H,5-8H2

InChIK : DHRCCQNFGZPBGJ-UHFFFAOYSA-N

TotalMolweight : 268.292

Molweight : 268.292

MonoisotopicMass : 268.051778

CLogP : 0.7977

CLogS : -2.316

H Acceptors : 6

TotalSurfaceArea : 198.96

Relative PSA : 0.38887

PolarSurfaceArea : 103.6

Druglikeness : -2.2643

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 1

AcidicOxygens : 1

StereoCon :

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