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Chemical ID: 7136221
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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