Chemical ID: 4123111

COc1ccc(cc1O)C2NC(CS2)C(=O)O
Chemical ID:
4123111
Name [?]:
2-(3-hydroxy-4-methoxy-phenyl)thiazolidine-4-carboxylic acid
SMILES [?]:
COc1ccc(cc1O)C2NC(CS2)C(=O)O
InChi [?]:
InChI=1/C11H13NO4S/c1-16-9-3-2-6(4-8(9)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:1,5,4,7,13,6,12,8,3,10,15,11,9,16,17,2,14/E:(14,15)/rA:17cCOCCCCCCOCNCCSCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;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:5.60074
Area:427.884
Solvation:-5.09635
Coulombic:-59.1401
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):-1.12

Name Annotations

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Descriptor Annotations

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