20168-99-4
CINMETACIN
Name
CINMETACIN
Formula
C21 H19 N O4
MolWeight
349.384
1Identification
【Name】
CINMETACIN
【CAS】
【MDL】
MFCD00866120
【English Synonyms】
【Formula】
C21 H19 N O4
【MolWeight】
349.384
【Inchi】
InChI=1S/C21H19NO4/c1-14-17(13-21(24)25)18-12-16(26-2)9-10-19(18)22(14)20(23)11-8-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25)/b11-8+
【InChIKey】
InChIKey=NKPPORKKCMYYTO-DHZHZOJOSA-N
【SMILES】
Cc1c(c2cc(ccc2n1C(=O)/C=C/c3ccccc3)OC)CC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CINMETACIN.cml
Quick Release
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