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Chemical ID: 6190687
Chemical ID:
6190687
Name [?]:
5-[(2,6-dichlorophenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(c(c(c1)Cl)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2)Cl
InChi [?]:
InChI=1/C16H10Cl2N2O2S/c17-12-2-1-3-13(18)11(12)8-14-15(22)20-16(23-14)19-9-4-6-10(21)7-5-9/h1-8,21H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,20,17,19,8,15,18,4,3,5,9,10,13,23,7,14,12,21,11,22/E:(2,3)(4,5)(6,7)(12,13)(17,18)/rA:23nCCCCCCClCCCONCNCCCCCCOSCl/rB:s1;d2;s3;d4;d1s5;s5;s4;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl2N2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4938 |
Area: | 528.834 |
Solvation: | -2.72708 |
Coulombic: | -45.6183 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 365.234 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.93 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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