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Chemical ID: 6463760
Chemical ID:
6463760
Name [?]:
5-[(3-chloro-4-hydroxy-phenyl)methylene]-2-(4-chlorophenyl)imino-3-methyl-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2ccc(c(c2)Cl)O)SC1=Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H12Cl2N2O2S/c1-21-16(23)15(9-10-2-7-14(22)13(19)8-10)24-17(21)20-12-5-3-11(18)4-6-12/h2-9,22H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,20,22,19,23,9,12,6,7,21,18,11,10,5,3,16,24,13,17,2,14,4,15/E:(3,4)(5,6)/rA:24nCNCOCCCCCCCCClOSCNCCCCCCCl/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s11;s10;s5;s2s15;w16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12Cl2N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9516 |
Area: | 552.721 |
Solvation: | -2.86642 |
Coulombic: | -42.0067 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 379.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.07 |
LogP (Chemaxon): | 5.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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