Chemical ID: 6121207

COc1cc(cc(c1O)I)C=C2C(=O)NC(=O)S2
Chemical ID:
6121207
Name [?]:
5-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
COc1cc(cc(c1O)I)C=C2C(=O)NC(=O)S2
InChi [?]:
InChI=1/C11H8INO4S/c1-17-7-3-5(2-6(12)9(7)14)4-8-10(15)13-11(16)18-8/h2-4,14H,1H3,(H,13,15,16)
InChi Info:
AuxInfo=1/1/N:1,6,4,11,5,7,3,12,8,13,16,10,15,9,14,17,2,18/rA:18nCOCCCCCCOICCCONCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s5;w11;s12;d13;s13;s15;d16;s12s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8INO4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.39901
Area:447.926
Solvation:-4.79915
Coulombic:-53.8949
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:377.156
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.01
LogP (Chemaxon):2.28

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