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C17H14N3O4F | Cheminformatics
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N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)oxamide

Molecular Formula : C17H14N3O4F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)oxamide is a drug-like molecule.

MolName : N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)oxamide

MolecularFormula : C17H14N3O4F

Smiles : O=C(C(N/N=C\c(cc1)cc2c1OCCO2)=O)Nc(cc1)ccc1F

InChI : InChI=1S/C17H14FN3O4/c18-12-2-4-13(5-3-12)20-16(22)17(23)21-19-10-11-1-6-14-15(9-11)25-8-7-24-14/h1-6,9-10H,7-8H2,(H,20,22)(H,21,23)

InChIK : FMLRVQUTWXXTLO-UHFFFAOYSA-N

TotalMolweight : 343.313

Molweight : 343.313

MonoisotopicMass : 343.096835

CLogP : 2.2235

CLogS : -4.021

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 256.57

Relative PSA : 0.31379

PolarSurfaceArea : 89.02

Druglikeness : -4.8364

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide

Shape Index : 0.68

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 4

Symmetricatoms : 2

Amides : 1

StereoCon :

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1 - N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)oxamide
2 - N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)oxamide
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