Chemical ID: 6132108

CC(=O)N1C(CSC1c2ccc(cc2Cl)Cl)C(=O)O
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

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