Chemical ID: 7136223

c1cc(ccc1N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2)O
Chemical ID:
7136223
Name [?]:
5-[(3,4-dihydroxyphenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(ccc1N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2)O
InChi [?]:
InChI=1/C16H12N2O4S/c19-11-4-2-10(3-5-11)17-16-18-15(22)14(23-16)8-9-1-6-12(20)13(21)7-9/h1-8,19-21H,(H,17,18,22)
InChi Info:
AuxInfo=1/1/N:15,1,5,2,4,16,19,13,14,6,3,17,18,12,10,8,7,9,23,21,20,11,22/E:(2,3)(4,5)/rA:23nCCCCCCNCNCOCCCCCCCCOOSO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O4S
All Atoms:35
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.78958
Area:511.384
Solvation:-4.99502
Coulombic:-75.7936
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:328.344
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:2.3
LogP (Chemaxon):3.5

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Descriptor Annotations

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