Chemical ID: 4515516

c1cc(ccc1C=C2C(=O)NC(=O)S2)Cl
Chemical ID:
4515516
Name [?]:
5-[(4-chlorophenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=O)S2)Cl
InChi [?]:
InChI=1/C10H6ClNO2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,6,3,8,9,12,15,11,10,13,14/E:(1,2)(3,4)/rA:15nCCCCCCCCCONCOSCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s8s12;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6ClNO2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.73531
Area:393.425
Solvation:-2.10031
Coulombic:-32.7335
Bond Count [?]
All:16
Single:10
Double:6
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:239.679
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.06
LogP (Chemaxon):2.34

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Descriptor Annotations

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