Chemical ID: 4409930

c1cc(cc(c1)OCC(=O)O)C=C2C(=O)N(C(=O)S2)c3ccc(c(c3)Cl)Cl
Chemical ID:
4409930
Name [?]:
2-[3-[[3-(3,4-dichlorophenyl)-2,4-dioxo-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
SMILES [?]:
c1cc(cc(c1)OCC(=O)O)C=C2C(=O)N(C(=O)S2)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C18H11Cl2NO5S/c19-13-5-4-11(8-14(13)20)21-17(24)15(27-18(21)25)7-10-2-1-3-12(6-10)26-9-16(22)23/h1-8H,9H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,22,4,12,25,8,3,20,5,23,24,13,9,14,17,27,26,16,10,11,15,18,7,19/E:(22,23)/rA:27nCCCCCCOCCOOCCCONCOSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s3;w12;s13;d14;s14;s16;d17;s13s17;s16;s20;d21;s22;d23;d20s24;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11Cl2NO5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.2855
Area:615.554
Solvation:-5.10341
Coulombic:-62.49
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:424.255
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.68
LogP (Chemaxon):4.08

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Descriptor Annotations

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