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Chemical ID: 4315655
Chemical ID:
4315655
Name [?]:
5-[(2,4-dichlorophenyl)methylene]-3-(2-methoxyphenyl)-thiazolidine-2,4-dione
SMILES [?]:
COc1ccccc1N2C(=O)C(=Cc3ccc(cc3Cl)Cl)SC2=O
InChi [?]:
InChI=1/C17H11Cl2NO3S/c1-23-14-5-3-2-4-13(14)20-16(21)15(24-17(20)22)8-10-6-7-11(18)9-12(10)19/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,15,16,13,18,14,17,19,8,3,12,10,23,21,20,9,11,24,2,22/rA:24nCOCCCCCCNCOCCCCCCCCClClSCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s17;s12;s9s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11Cl2NO3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3559 |
Area: | 550.651 |
Solvation: | -3.41042 |
Coulombic: | -37.1932 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 380.246 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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