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Chemical ID: 4088196
Chemical ID:
4088196
Name [?]:
5-[(5-bromo-2-hydroxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1cc(c(cc1Br)C=C2C(=O)NC(=S)S2)O
InChi [?]:
InChI=1/C10H6BrNO2S2/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,8,4,6,3,9,10,13,7,12,16,11,14,15/rA:16nCCCCCCBrCCCONCSSO/rB:s1;d2;s3;d4;d1s5;s6;s4;w8;s9;d10;s10;s12;d13;s9s13;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6BrNO2S2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.34105 |
Area: | 421.181 |
Solvation: | -2.18847 |
Coulombic: | -39.1483 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 316.196 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.08 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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