anisodamine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 72
Total Number of Articles : 50
PubChem 51026956
Molecular Formula

C17H23NO4

SMILES

CN1[C@@H]2C[C@H](C[C@H]1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3

InChI

InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14?,15+,16?/m1/s1

synonyms
  • anisodamine
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Properties
Property Value
MW 305.4 g/mol
HBD 2
HBA 5
Rotatable Bond Count 5
Exact Mass 305.16270821 g/mol
Monoisotopic Mass 305.16270821 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 396
xlogp 0.9
Topological Polar Surface Area 70