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C17H15N2O4F | Cheminformatics
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N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-fluorophenoxy)acetamide

Molecular Formula : C17H15N2O4F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-fluorophenoxy)acetamide is a drug-like molecule.

MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-fluorophenoxy)acetamide

MolecularFormula : C17H15N2O4F

Smiles : O=C(COc(cccc1)c1F)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C17H15FN2O4/c18-13-3-1-2-4-14(13)24-11-17(21)20-19-10-12-5-6-15-16(9-12)23-8-7-22-15/h1-6,9-10H,7-8,11H2,(H,20,21)

InChIK : HXOIHIOPXZNNMY-UHFFFAOYSA-N

TotalMolweight : 330.314

Molweight : 330.314

MonoisotopicMass : 330.101586

CLogP : 2.8561

CLogS : -3.997

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 251.12

Relative PSA : 0.26286

PolarSurfaceArea : 69.15

Druglikeness : -4.0234

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

StereoCon :

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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-fluorophenoxy)acetamide
2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-fluorophenoxy)acetamide
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