nitidine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 74
Total Number of Articles : 46
PubChem 4501
Molecular Formula

C21H18NO4+

SMILES

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC

InChI

InChI=1S/C21H18NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-10H,11H2,1-3H3/q+1

synonyms
  • Nitidine
  • 6872-57-7
  • (1,3)Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-
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Properties
Property Value
MW 348.4 g/mol
HBD 0
HBA 4
Rotatable Bond Count 2
Exact Mass 348.12358306 g/mol
Monoisotopic Mass 348.12358306 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 516
xlogp 4.6
Topological Polar Surface Area 40.8