Structure Database (LMSD)

Common Name
Chlortetracycline
Systematic Name
Synonyms
LM ID
LMPK07000004
Status
Active
Exact Mass
Calculate m/z
478.114296
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)
CYDMQBQPVICBEU-XRNKAMNCSA-N
InChi (Click to copy)
InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1
SMILES (Click to copy)
[C@@]12([H])C[C@@]3([H])C(C(=O)C4C(=C(Cl)C=CC=4O)[C@]3(O)C)=C(O)[C@]1(O)C(=O)C(=C(O)[C@H]2N(C)C)C(=O)N

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 1
Rotatable Bonds 2
Van der Waals Molecular Volume 415.23
Topological Polar Surface Area 181.62
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 9
logP 1.01
Molar Refractivity 115.57

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Created at
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Updated at
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