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Chemical ID: 4533810
Chemical ID:
4533810
Name [?]:
5-[(3,4-dichlorophenyl)methylene]-2-(3,5-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)Cl)Cl)S2)C
InChi [?]:
InChI=1/C18H14Cl2N2OS/c1-10-5-11(2)7-13(6-10)21-18-22-17(23)16(24-18)9-12-3-4-14(19)15(20)8-12/h3-9H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,16,17,3,7,5,20,14,2,4,15,6,18,19,13,11,9,22,21,8,10,12,23/E:(1,2)(6,7)(10,11)/rA:24nCCCCCCCNCNCOCCCCCCCCClClSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s9s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14Cl2N2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5157 |
Area: | 573.898 |
Solvation: | -1.83177 |
Coulombic: | -30.5445 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 377.288 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.21 |
LogP (Chemaxon): | 6.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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