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Chemical ID: 6467942
Chemical ID:
6467942
Name [?]:
3-methyl-5-(p-tolylmethylene)-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)N(C(=Nc3cccc(c3)C(F)(F)F)S2)C
InChi [?]:
InChI=1/C19H15F3N2OS/c1-12-6-8-13(9-7-12)10-16-17(25)24(2)18(26-16)23-15-5-3-4-14(11-15)19(20,21)22/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,17,18,16,3,7,4,6,8,20,2,5,19,15,9,10,13,21,22,23,24,14,12,11,25/E:(6,7)(8,9)(20,21,22)/rA:26nCCCCCCCCCCONCNCCCCCCCFFFSC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;s9s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15F3N2OS |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5976 |
Area: | 534.229 |
Solvation: | -2.75816 |
Coulombic: | -44.148 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 376.396 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.6 |
LogP (Chemaxon): | 5.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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