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Chemical ID: 4515516
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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