Doxycycline

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1852
Total Number of Articles : 2446
PubChem 54671203
Molecular Formula

C22H24N2O8

SMILES

C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O

InChI

InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1

synonyms
  • doxycycline
  • 564-25-0
  • Vibramycin
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Properties
Property Value
MW 444.4 g/mol
HBD 6
HBA 9
Rotatable Bond Count 2
Exact Mass 444.15326573 g/mol
Monoisotopic Mass 444.15326573 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 956
xlogp -0.7
Topological Polar Surface Area 182