Chemical ID: 7141027

c1cc(ccc1N=C2NC(=O)C(=Cc3ccc(cc3Cl)Cl)S2)Cl
Chemical ID:
7141027
Name [?]:
2-(4-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(ccc1N=C2NC(=O)C(=Cc3ccc(cc3Cl)Cl)S2)Cl
InChi [?]:
InChI=1/C16H9Cl3N2OS/c17-10-3-5-12(6-4-10)20-16-21-15(22)14(23-16)7-9-1-2-11(18)8-13(9)19/h1-8H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:15,16,2,4,1,5,13,18,14,3,17,6,19,12,10,8,23,21,20,7,9,11,22/E:(3,4)(5,6)/rA:23nCCCCCCNCNCOCCCCCCCCClClSCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s17;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9Cl3N2OS
All Atoms:32
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:12.2472
Area:565.054
Solvation:-1.87914
Coulombic:-30.8204
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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Descriptor Annotations

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