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Chemical ID: 6468864
Chemical ID:
6468864
Name [?]:
5-[(3-chloro-4-hydroxy-phenyl)methylene]-3-ethyl-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(c(c2)Cl)O)SC1=Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C19H17ClN2O3S/c1-3-22-18(24)17(11-12-4-9-16(23)15(20)10-12)26-19(22)21-13-5-7-14(25-2)8-6-13/h4-11,23H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,9,20,24,21,23,10,13,7,8,19,22,12,11,6,4,17,14,18,3,15,5,25,16/E:(5,6)(7,8)/rA:26nCCNCOCCCCCCCCClOSCNCCCCCCOC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s12;s11;s6;s3s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0136 |
Area: | 566.469 |
Solvation: | -4.14812 |
Coulombic: | -48.3391 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.869 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.79 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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