- the In
ChI string. The
standard InChIKey is then the
hashed version of the
standard In
ChI string. The
standard In
ChI will
simplify comparison of In
ChI strings...
-
groups of
chemicals based on
Chemical Name CASRN,
InChIKey,
DSSTox Substance ID,
DSSTox Compound ID,
InChIKey Skeleton, MS-Ready Formula,
Exact Formula, or...
- SD
files (SDF) from
chemical names, CAS
Registry Numbers, SMILES, In
ChI,
InChIKey, ....
KNIME free
software to mani****te data and do datamining, can...
-
information presented here
includes structural and
molecular formula,
InChIKey (International
Chemical Identifier),
synonyms and
information on the role...
-
Isaac "
Ikey"
Solomon (c. 1787 – 1850) was a
British criminal who
acted as a
receiver of
stolen property. His well-publicised crimes,
escape from arrest...
- InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12) N Key:
InChIKey=BTNMPGBKDVTSJY-UHFFFAOYSA-N N
SMILES c1ccccc1CC(=O)C(=O)O
Properties Chemical...
- California, San
Diego noncovalent ****ociation of
molecules in
solution ChEMBL
SMILES InChiKey targets "BindingDB".
BindingMOAD Binding Mother of All Databases...
-
Dashboard (EPA) DTXSID1042077 In
ChI In
ChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) Key:
InChIKey=PUIYMUZLKQOUOZ-UHFFFAOYSA-N...
- held in a
single canonical form, with
checks made for uniqueness. The
InChIKey provides one way to do this. (S)-Histidine's
standard key is HNDVDQJCIGZPNO-YFKPBYRVSA-N...
-
Table of PCDF
congeners Number Formula Name CAS
Number InChIKey PCDF-1 C12H7ClO 1-chlorodibenzofuran 84761-86-4 WRSMJZYBNIAAEE-UHFFFAOYSA-N PCDF-2 C12H7ClO...
