Chemical ID: 5635638

c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(cc3)Cl)S2)Cl
Chemical ID:
5635638
Name [?]:
2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(cc3)Cl)S2)Cl
InChi [?]:
InChI=1/C16H10Cl2N2OS/c17-11-7-5-10(6-8-11)9-14-15(21)20-16(22-14)19-13-4-2-1-3-12(13)18/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,19,16,18,13,14,17,4,5,12,10,8,20,22,7,9,11,21/E:(5,6)(7,8)/rA:22nCCCCCCNCNCOCCCCCCCCClSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10Cl2N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.3742
Area:532.396
Solvation:-1.93569
Coulombic:-31.1372
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:349.235
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.34
LogP (Chemaxon):5.39

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