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C19H13N2O5F | Cheminformatics
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(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione

Molecular Formula : C19H13N2O5F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName : (5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione

MolecularFormula : C19H13N2O5F

Smiles : O=C(/C(/C(N1c2cccc(F)c2)=O)=C/c(cc2)cc3c2OCCO3)NC1=O

InChI : InChI=1S/C19H13FN2O5/c20-12-2-1-3-13(10-12)22-18(24)14(17(23)21-19(22)25)8-11-4-5-15-16(9-11)27-7-6-26-15/h1-5,8-10H,6-7H2,(H,21,23,25)

InChIK : KQTGYDMUIYBKPO-UHFFFAOYSA-N

TotalMolweight : 368.319

Molweight : 368.319

MonoisotopicMass : 368.080851

CLogP : 2.235

CLogS : -4.383

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 259.61

Relative PSA : 0.28554

PolarSurfaceArea : 84.94

Druglikeness : -3.7027

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.51852

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 2

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 4

Amides : 2

StereoCon :

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1 - (5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione
2 - (5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-(3-fluorophenyl)-1,3-diazinane-2,4,6-trione
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