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Chemical ID: 7141410
Chemical ID:
7141410
Name [?]:
2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)-2-furyl]methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4c(cccc4Cl)Cl)S2)Cl
InChi [?]:
InChI=1/C20H11Cl3N2O2S/c21-12-4-1-2-7-15(12)24-20-25-19(26)17(28-20)10-11-8-9-16(27-11)18-13(22)5-3-6-14(18)23/h1-10H,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:2,1,22,3,21,23,6,15,16,13,14,4,20,24,5,17,12,19,10,8,28,26,25,7,9,11,18,27/E:(5,6)(13,14)(22,23)/rA:28nCCCCCCNCNCOCCCCCCOCCCCCCClClSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s20;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H11Cl3N2O2S |
All Atoms: | 39 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9021 |
Area: | 620.796 |
Solvation: | -3.61784 |
Coulombic: | -36.2527 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 449.738 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.61 |
LogP (Chemaxon): | 6.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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