Chemical ID: 7144842

c1cc(ccc1C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)O)C(=O)O)C=O
Chemical ID:
7144842
Name [?]:
4-[5-[(4-formylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-2-hydroxy-benzoic acid
SMILES [?]:
c1cc(ccc1C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)O)C(=O)O)C=O
InChi [?]:
InChI=1/C18H11NO5S2/c20-9-11-3-1-10(2-4-11)7-15-16(22)19(18(25)26-15)12-5-6-13(17(23)24)14(21)8-12/h1-9,21H,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,17,7,20,25,6,3,15,18,19,8,9,22,12,11,26,21,10,23,24,13,14/E:(1,2)(3,4)(23,24)/rA:26nCCCCCCCCCONCSSCCCCCCOCOOCO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s17;d18;d15s19;s19;s18;d22;s22;s3;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11NO5S2
All Atoms:37
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.3544
Area:577.128
Solvation:-5.0738
Coulombic:-68.3738
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:385.416
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.5
LogP (Chemaxon):4.05

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