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C14H9N3O4S | Cheminformatics
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(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

Molecular Formula : C14H9N3O4S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |
(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.

MolName : (5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

MolecularFormula : C14H9N3O4S

Smiles : [O-][N+](c(cc1)ccc1-c1ccc(/C=C(\C(N2)=O)/NC2=S)o1)=O

InChI : InChI=1S/C14H9N3O4S/c18-13-11(15-14(22)16-13)7-10-5-6-12(21-10)8-1-3-9(4-2-8)17(19)20/h1-7H,(H2,15,16,18,22)

InChIK : DTECYEKXRKVIQZ-UHFFFAOYSA-N

TotalMolweight : 315.308

Molweight : 315.308

MonoisotopicMass : 315.031377

CLogP : 1.2461

CLogS : -4.74

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 230.97

Relative PSA : 0.46971

PolarSurfaceArea : 132.18

Druglikeness : -1.8448

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : none

Nasty Functions : aromatic nitro; thio-amide/urea

Shape Index : 0.63636

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Symmetricatoms : 2

Amides : 1

AcidicOxygens : 1

StereoCon :

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