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Chemical ID: 7132262
Chemical ID:
7132262
Name [?]:
5-benzylidene-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)C(F)(F)F)Cl)S2
InChi [?]:
InChI=1/C17H10ClF3N2OS/c18-13-7-6-11(9-12(13)17(19,20)21)22-16-23-15(24)14(25-16)8-10-4-2-1-3-5-10/h1-9H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,16,7,19,4,14,18,17,8,9,12,20,24,21,22,23,13,11,10,25/E:(2,3)(4,5)(19,20,21)/rA:25nCCCCCCCCCONCNCCCCCCCFFFClS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s17;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10ClF3N2OS |
All Atoms: | 35 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5617 |
Area: | 534.78 |
Solvation: | -2.80779 |
Coulombic: | -47.8526 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 382.788 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.64 |
LogP (Chemaxon): | 5.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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