Chemical ID: 7136221

c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(cc3)O)S2)O
Chemical ID:
7136221
Name [?]:
2-(4-hydroxyphenyl)imino-5-[(4-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(cc3)O)S2)O
InChi [?]:
InChI=1/C16H12N2O3S/c19-12-5-1-10(2-6-12)9-14-15(21)18-16(22-14)17-11-3-7-13(20)8-4-11/h1-9,19-20H,(H,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,5,15,19,2,4,16,18,7,6,14,3,17,8,9,12,13,11,22,20,10,21/E:(1,2)(3,4)(5,6)(7,8)/rA:22nCCCCCCCCCONCNCCCCCCOSO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O3S
All Atoms:34
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.7521
Area:498.426
Solvation:-3.70856
Coulombic:-60.552
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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