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C18H20N2O5S | Cheminformatics

N-[[5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]methyl]benzenesulfonamide

Molecular Formula : C18H20N2O5S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
N-[[5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]methyl]benzenesulfonamide is a drug-like molecule.

MolName : N-[[5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]methyl]benzenesulfonamide

MolecularFormula : C18H20N2O5S

Smiles : O=C(/C=C/c1ccc(CNS(c2ccccc2)(=O)=O)o1)N1CCOCC1

InChI : InChI=1S/C18H20N2O5S/c21-18(20-10-12-24-13-11-20)9-8-15-6-7-16(25-15)14-19-26(22,23)17-4-2-1-3-5-17/h1-9,19H,10-14H2

InChIK : JKBGMFAHDAGVTE-UHFFFAOYSA-N

TotalMolweight : 376.432

Molweight : 376.432

MonoisotopicMass : 376.109293

CLogP : 1.4493

CLogS : -2.278

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 282.6

Relative PSA : 0.2857

PolarSurfaceArea : 97.23

Druglikeness : -3.4874

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 7

Symmetricatoms : 5

Amides : 2

StereoCon :

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