Structure Database (LMSD)

Common Name
4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline
Systematic Name
Synonyms
LM ID
LMPK07000006
Status
Active
Exact Mass
Calculate m/z
431.040797
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
QVXDDJGWOXLKSL-NKJPJYLMSA-N
InChi (Click to copy)
InChI=1S/C20H14ClNO8/c1-5-6-4-7-14(24)16(26)13(19(22)29)18(28)20(7,30)17(27)11(6)15(25)12-9(23)3-2-8(21)10(5)12/h2-3,7,23,25-26,30H,4H2,1H3,(H2,22,29)/t7?,20-/m0/s1
SMILES (Click to copy)
[C@@]12(O)C(=O)C(=C(O)C(=O)C1CC1C(=C(O)C3C(=C(Cl)C=CC=3O)C=1C)C2=O)C(=O)N

References

Other Databases

KEGG ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 364.35
Topological Polar Surface Area 175.22
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 1.16
Molar Refractivity 102.70

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Created at
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Updated at
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