Chemical ID: 6164290

c1ccc(cc1)N2C(=O)C(=Cc3c(cccc3Cl)Cl)SC2=S
Chemical ID:
6164290
Name [?]:
5-[(2,6-dichlorophenyl)methylene]-3-phenyl-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N2C(=O)C(=Cc3c(cccc3Cl)Cl)SC2=S
InChi [?]:
InChI=1/C16H9Cl2NOS2/c17-12-7-4-8-13(18)11(12)9-14-15(20)19(16(21)22-14)10-5-2-1-3-6-10/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,15,3,5,14,16,11,4,12,13,17,10,8,21,19,18,7,9,22,20/E:(2,3)(5,6)(7,8)(12,13)(17,18)/rA:22nCCCCCCNCOCCCCCCCCClClSCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s13;s10;s7s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9Cl2NOS2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.2937
Area:511.938
Solvation:-1.50479
Coulombic:-21.496
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:366.286
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.64
LogP (Chemaxon):5.52

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