ChemDB: Chemical Search
Download
Chemical ID: 4105951
Chemical ID:
4105951
Name [?]:
2-benzo[1,3]dioxol-5-ylthiazolidine-4-carboxylic acid
SMILES [?]:
c1cc2c(cc1C3NC(CS3)C(=O)O)OCO2
InChi [?]:
InChI=1/C11H11NO4S/c13-11(14)7-4-17-10(12-7)6-1-2-8-9(3-6)16-5-15-8/h1-3,7,10,12H,4-5H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,10,16,6,9,3,4,7,12,8,13,14,17,15,11/E:(13,14)/rA:17cCCCCCCCNCCSCOOOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s7s10;s9;d12;s12;s4;s15;s3s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO4S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.31832 |
Area: | 414.318 |
Solvation: | -4.03962 |
Coulombic: | -52.3978 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 253.275 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.28 |
LogP (Chemaxon): | -0.9 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|