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Chemical ID: 6132108
Chemical ID:
6132108
Name [?]:
3-acetyl-2-(2,4-dichlorophenyl)-thiazolidine-4-carboxylic acid
SMILES [?]:
CC(=O)N1C(CSC1c2ccc(cc2Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C12H11Cl2NO3S/c1-6(16)15-10(12(17)18)5-19-11(15)8-3-2-7(13)4-9(8)14/h2-4,10-11H,5H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,11,10,13,6,2,12,9,14,5,8,17,16,15,4,3,18,19,7/E:(17,18)/rA:19cCCONCCSCCCCCCCClClCOO/rB:s1;d2;s2;s4;s5;s6;s4s7;s8;s9;d10;s11;d12;d9s13;s14;s12;s5;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11Cl2NO3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.17022 |
Area: | 461.514 |
Solvation: | -3.36763 |
Coulombic: | -43.8893 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.192 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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