Chemical ID: 7143562

Cc1cccc(c1)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(=O)O
Chemical ID:
7143562
Name [?]:
3-[5-(m-tolylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid
SMILES [?]:
Cc1cccc(c1)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(=O)O
InChi [?]:
InChI=1/C18H13NO3S2/c1-11-4-2-5-12(8-11)9-15-16(20)19(18(23)24-15)14-7-3-6-13(10-14)17(21)22/h2-10H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,18,3,5,19,17,7,8,21,2,6,20,16,9,10,22,13,12,11,23,24,14,15/E:(21,22)/rA:24nCCCCCCCCCCONCSSCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13NO3S2
All Atoms:37
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.397
Area:551.121
Solvation:-2.38103
Coulombic:-47.7055
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:355.433
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.44
LogP (Chemaxon):4.47

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