Chemical ID: 7132095

COc1ccccc1C=C2C(=O)N(C(=O)S2)c3cccc(c3)O
Chemical ID:
7132095
Name [?]:
3-(3-hydroxyphenyl)-5-[(2-methoxyphenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
COc1ccccc1C=C2C(=O)N(C(=O)S2)c3cccc(c3)O
InChi [?]:
InChI=1/C17H13NO4S/c1-22-14-8-3-2-5-11(14)9-15-16(20)18(17(21)23-15)12-6-4-7-13(19)10-12/h2-10,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,19,7,18,20,4,9,22,8,17,21,3,10,11,14,13,23,12,15,2,16/rA:23nCOCCCCCCCCCONCOSCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO4S
All Atoms:36
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.56354
Area:513.127
Solvation:-4.26463
Coulombic:-51.7897
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:327.355
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.65
LogP (Chemaxon):3.22

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Descriptor Annotations

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