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Chemical ID: 7141097
Chemical ID:
7141097
Name [?]:
5-[(4-bromophenyl)methylene]-2-(2,4-dichlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(cc3Cl)Cl)S2)Br
InChi [?]:
InChI=1/C16H9BrCl2N2OS/c17-10-3-1-9(2-4-10)7-14-15(22)21-16(23-14)20-13-6-5-11(18)8-12(13)19/h1-8H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,15,7,18,6,3,17,19,14,8,9,12,23,21,20,13,11,10,22/E:(1,2)(3,4)/rA:23nCCCCCCCCCONCNCCCCCCClClSBr/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s17;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9BrCl2N2OS |
All Atoms: | 32 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1574 |
Area: | 563.492 |
Solvation: | -1.92986 |
Coulombic: | -30.5743 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 428.131 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.13 |
LogP (Chemaxon): | 6.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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