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Chemical ID: 7132265
Chemical ID:
7132265
Name [?]:
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-(3-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
c1cc(cnc1)C=C2C(=O)NC(=Nc3ccc(c(c3)C(F)(F)F)Cl)S2
InChi [?]:
InChI=1/C16H9ClF3N3OS/c17-12-4-3-10(7-11(12)16(18,19)20)22-15-23-14(24)13(25-15)6-9-2-1-5-21-8-9/h1-8H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,15,16,6,7,19,4,3,14,18,17,8,9,12,20,24,21,22,23,5,13,11,10,25/E:(18,19,20)/rA:25nCCCCNCCCCONCNCCCCCCCFFFClS/rB:s1;d2;s3;d4;d1s5;s3;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s17;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9ClF3N3OS |
All Atoms: | 34 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74203 |
Area: | 531.95 |
Solvation: | -3.55673 |
Coulombic: | -50.4686 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 383.776 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.39 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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