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Chemical ID: 7140916
Chemical ID:
7140916
Name [?]:
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(2-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(c(c3)C(F)(F)F)Cl)S2)F
InChi [?]:
InChI=1/C17H9ClF4N2OS/c18-12-6-5-10(8-11(12)17(20,21)22)23-16-24-15(25)14(26-16)7-9-3-1-2-4-13(9)19/h1-8H,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,16,7,19,5,14,18,17,4,8,9,12,20,24,26,21,22,23,13,11,10,25/E:(20,21,22)/rA:26nCCCCCCCCCONCNCCCCCCCFFFClSF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H9ClF4N2OS |
All Atoms: | 35 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89347 |
Area: | 540.187 |
Solvation: | -3.61119 |
Coulombic: | -51.0407 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 400.779 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.8 |
LogP (Chemaxon): | 5.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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