57645-05-3
SERMETACIN
Name
SERMETACIN
Formula
C22 H21 Cl N2 O6
MolWeight
444.869
1Identification
【Name】
SERMETACIN
【CAS】
【MDL】
MFCD00866154
【English Synonyms】
【Formula】
C22 H21 Cl N2 O6
【MolWeight】
444.869
【Inchi】
InChI=1S/C22H21ClN2O6/c1-12-16(10-20(27)24-18(11-26)22(29)30)17-9-15(31-2)7-8-19(17)25(12)21(28)13-3-5-14(23)6-4-13/h3-9,18,26H,10-11H2,1-2H3,(H,24,27)(H,29,30)/t18-/m0/s1
【InChIKey】
InChIKey=AUDFHJLSHQWFQQ-SFHVURJKSA-N
【SMILES】
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)N[C@@H](CO)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SERMETACIN.cml
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