Chemical ID: 7136219

c1cc(cc(c1)O)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
Chemical ID:
7136219
Name [?]:
2-(4-hydroxyphenyl)imino-5-[(3-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)O)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C16H12N2O3S/c19-12-6-4-11(5-7-12)17-16-18-15(21)14(22-16)9-10-2-1-3-13(20)8-10/h1-9,19-20H,(H,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,20,17,19,4,8,3,15,18,5,9,10,13,14,12,21,7,11,22/E:(4,5)(6,7)/rA:22nCCCCCCOCCCONCNCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O3S
All Atoms:34
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.62318
Area:493.54
Solvation:-3.71533
Coulombic:-60.5812
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:312.344
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.28
LogP (Chemaxon):3.78

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Descriptor Annotations

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