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Chemical ID: 4724829
Chemical ID:
4724829
Name [?]:
5-[(2-hydroxyphenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=O)S2)O
InChi [?]:
InChI=1/C10H7NO3S/c12-7-4-2-1-3-6(7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,4,8,9,12,11,15,10,13,14/rA:15nCCCCCCCCCONCOSO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s8s12;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7NO3S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.35597 |
Area: | 371.582 |
Solvation: | -2.93357 |
Coulombic: | -47.9416 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 221.234 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.03 |
LogP (Chemaxon): | 1.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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