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Chemical ID: 7132095
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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