Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

MolName : 2-[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide

MolecularFormula : C20H20N3O5F

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

InChI : InChI=1S/C20H20FN3O5/c21-15-3-1-14(2-4-15)7-8-22-20(26)13-29-23-12-19(25)24-16-5-6-17-18(11-16)28-10-9-27-17/h1-6,11-12H,7-10,13H2,(H,22,26)(H,24,25)

InChIK : NGSXFJRTYYSLLU-UHFFFAOYSA-N

TotalMolweight : 401.393

Molweight : 401.393

MonoisotopicMass : 401.1387

CLogP : 2.0605

CLogS : -3.743

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 307.85

Relative PSA : 0.29401

PolarSurfaceArea : 98.25

Druglikeness : -5.6061

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.72414

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 8

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 2

StereoCon :