Chemical ID: 7141011

c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)Cl)S2)Cl
Chemical ID:
7141011
Name [?]:
5-[(4-chlorophenyl)methylene]-2-(3,4-dichlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)Cl)S2)Cl
InChi [?]:
InChI=1/C16H9Cl3N2OS/c17-10-3-1-9(2-4-10)7-14-15(22)21-16(23-14)20-11-5-6-12(18)13(19)8-11/h1-8H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,16,7,19,6,3,14,17,18,8,9,12,23,21,20,13,11,10,22/E:(1,2)(3,4)/rA:23nCCCCCCCCCONCNCCCCCCClClSCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9Cl3N2OS
All Atoms:32
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:12.1135
Area:562.877
Solvation:-1.95841
Coulombic:-30.7232
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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