Compound Selection

Formula: C11H13ClNO2

MW: 226.68

CAS: 4884-68-8

TNP NUMBER: TNP00276

MDL NUMBER: MFCD06668136

IUPAC: 6-methyl-7,8-dihydro-2H-1,3-dioxoleno[4,5-g]isoquinoline, chloride

Smiles: [N]1(=Cc2cc3OCOc3cc2CC1)C.Cl

THERAPEUTIC CATEGORY: Cardiotonic, uterine hemostatic

SOURCE: Oxidation product of hydrastine - from Hydrastis canadensis

ACCEPTORS: 2

DONORS: 0

ROTATION BONDS: 0

N+O: 3

Chiral Centers: 0

LogP: 4.23

LogS: -4.2

LIPINSKI: 4

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