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Chemical ID: 7136219
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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