Chemical ID: 4991449

c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)Cl)Cl)S2)Cl
Chemical ID:
4991449
Name [?]:
2-(2-chlorophenyl)imino-5-[(3,4-dichlorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)Cl)Cl)S2)Cl
InChi [?]:
InChI=1/C16H9Cl3N2OS/c17-10-6-5-9(7-12(10)19)8-14-15(22)21-16(23-14)20-13-4-2-1-3-11(13)18/h1-8H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,16,19,13,14,17,4,18,5,12,10,8,21,23,20,7,9,11,22/rA:23nCCCCCCNCNCOCCCCCCCCClClSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9Cl3N2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:12.0416
Area:559.74
Solvation:-1.95191
Coulombic:-31.2483
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:383.68
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.96
LogP (Chemaxon):5.91

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