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C19H14N2O5F2S | Cheminformatics

(5E)-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)-2-(2-oxooxolan-3-yl)sulfanylimidazol-4-one

Molecular Formula : C19H14N2O5F2S | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |

MolName : (5E)-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)-2-(2-oxooxolan-3-yl)sulfanylimidazol-4-one

MolecularFormula : C19H14N2O5F2S

Smiles : O=C1OCCC1SC(N(C1=O)c(cc2)ccc2OC(F)F)=N/C1=C/c1ccco1

InChI : InChI=1S/C19H14F2N2O5S/c20-18(21)28-12-5-3-11(4-6-12)23-16(24)14(10-13-2-1-8-26-13)22-19(23)29-15-7-9-27-17(15)25/h1-6,8,10,15,18H,7,9H2/t15-/m0/s1

InChIK : RDJLDBOPSAMRKO-HNNXBMFYSA-N

TotalMolweight : 420.391

Molweight : 420.391

MonoisotopicMass : 420.059149

CLogP : 2.0871

CLogS : -5.355

H Acceptors : 7

TotalSurfaceArea : 291.9

Relative PSA : 0.31771

PolarSurfaceArea : 106.64

Druglikeness : 2.1443

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.48276

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 10

Electronegative Atoms : 10

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 7

Symmetricatoms : 3

Amides : 1

StereoCon : racemate

Request More Details | (5E)-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)-2-(2-oxooxolan-3-yl)sulfanylimidazol-4-one


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