Chemical ID: 4377383

c1cc(ccc1N2C(=O)C(=Cc3ccc(c(c3)Cl)O)SC2=O)Cl
Chemical ID:
4377383
Name [?]:
5-[(3-chloro-4-hydroxy-phenyl)methylene]-3-(4-chlorophenyl)-thiazolidine-2,4-dione
SMILES [?]:
c1cc(ccc1N2C(=O)C(=Cc3ccc(c(c3)Cl)O)SC2=O)Cl
InChi [?]:
InChI=1/C16H9Cl2NO3S/c17-10-2-4-11(5-3-10)19-15(21)14(23-16(19)22)8-9-1-6-13(20)12(18)7-9/h1-8,20H
InChi Info:
AuxInfo=1/0/N:13,2,4,1,5,14,17,11,12,3,6,16,15,10,8,21,23,18,7,19,9,22,20/E:(2,3)(4,5)/rA:23nCCCCCCNCOCCCCCCCCClOSCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s15;s10;s7s20;d21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9Cl2NO3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.0825
Area:536.555
Solvation:-3.33135
Coulombic:-45.3291
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:366.219
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.98
LogP (Chemaxon):4.51

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