Chemical ID: 7143470

c1cc(cc(c1)Cl)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(=O)O
Chemical ID:
7143470
Name [?]:
3-[5-[(3-chlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid
SMILES [?]:
c1cc(cc(c1)Cl)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(=O)O
InChi [?]:
InChI=1/C17H10ClNO3S2/c18-12-5-1-3-10(7-12)8-14-15(20)19(17(23)24-14)13-6-2-4-11(9-13)16(21)22/h1-9H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,2,19,6,17,4,8,21,3,20,5,16,9,10,22,13,7,12,11,23,24,14,15/E:(21,22)/rA:24nCCCCCCClCCCONCSSCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10ClNO3S2
All Atoms:34
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.5851
Area:559.418
Solvation:-2.4004
Coulombic:-47.9982
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:375.851
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.63
LogP (Chemaxon):4.52

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue