114686-12-3
IMITRODAST
Name
IMITRODAST
Formula
C13 H12 N2 O2 S
MolWeight
260.316
1Identification
【Name】
IMITRODAST
【CAS】
【MDL】
MFCD00864809
【English Synonyms】
【Formula】
C13 H12 N2 O2 S
【MolWeight】
260.316
【Inchi】
InChI=1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)
【InChIKey】
InChIKey=KRBSZXUPPSXPAN-UHFFFAOYSA-N
【SMILES】
c1cn(cn1)Cc2cc3c(s2)C=C(CC3)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
IMITRODAST.cml
Quick Release
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