Chemical ID: 6309417

COc1cccc(c1O)C2NC(CS2)C(=O)O
Chemical ID:
6309417
Name [?]:
2-(2-hydroxy-3-methoxy-phenyl)thiazolidine-4-carboxylic acid
SMILES [?]:
COc1cccc(c1O)C2NC(CS2)C(=O)O
InChi [?]:
InChI=1/C11H13NO4S/c1-16-8-4-2-3-6(9(8)13)10-12-7(5-17-10)11(14)15/h2-4,7,10,12-13H,5H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,13,7,12,3,8,10,15,11,9,16,17,2,14/E:(14,15)/rA:17cCOCCCCCCOCNCCSCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;s11;s12;s10s13;s12;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:5.57744
Area:423.116
Solvation:-5.00045
Coulombic:-59.5252
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:255.291
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.03
LogP (Chemaxon):-1.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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