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C17H15N2O4Br | Cheminformatics
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2-(3-bromophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide

Molecular Formula : C17H15N2O4Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-(3-bromophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide is a drug-like molecule.

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

MolecularFormula : C17H15N2O4Br

Smiles : O=C(COc1cccc(Br)c1)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C17H15BrN2O4/c18-13-2-1-3-14(9-13)24-11-17(21)20-19-10-12-4-5-15-16(8-12)23-7-6-22-15/h1-5,8-10H,6-7,11H2,(H,20,21)

InChIK : ZCZHJHMZXGMCQP-UHFFFAOYSA-N

TotalMolweight : 391.22

Molweight : 391.22

MonoisotopicMass : 390.021519

CLogP : 3.4805

CLogS : -4.517

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 263.4

Relative PSA : 0.25061

PolarSurfaceArea : 69.15

Druglikeness : -4.4734

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 :

Click to Load Molecule:
1 - 2-(3-bromophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
2 - 2-(3-bromophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
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