Chemical ID: 6164107

CN1C(=O)C(=Cc2ccc(o2)c3ccc(cc3Cl)Cl)SC1=S
Chemical ID:
6164107
Name [?]:
5-[[5-(2,4-dichlorophenyl)-2-furyl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2ccc(o2)c3ccc(cc3Cl)Cl)SC1=S
InChi [?]:
InChI=1/C15H9Cl2NO2S2/c1-18-14(19)13(22-15(18)21)7-9-3-5-12(20-9)10-4-2-8(16)6-11(10)17/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,8,13,9,16,6,15,7,12,17,10,5,3,21,19,18,2,4,11,22,20/rA:22nCNCOCCCCCCOCCCCCCClClSCS/rB:s1;s2;d3;s3;w5;s6;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s17;s15;s5;s2s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9Cl2NO2S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1592
Area:522.633
Solvation:-2.90663
Coulombic:-25.0848
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:370.275
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.72
LogP (Chemaxon):4.24

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Descriptor Annotations

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