Chemical ID: 7140915

c1ccc(c(c1)C=C2C(=O)NC(=Nc3cccc(c3)C(F)(F)F)S2)F
Chemical ID:
7140915
Name [?]:
5-[(2-fluorophenyl)methylene]-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=Nc3cccc(c3)C(F)(F)F)S2)F
InChi [?]:
InChI=1/C17H10F4N2OS/c18-13-7-2-1-4-10(13)8-14-15(24)23-16(25-14)22-12-6-3-5-11(9-12)17(19,20)21/h1-9H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,16,6,17,15,3,7,19,5,18,14,4,8,9,12,20,25,21,22,23,13,11,10,24/E:(19,20,21)/rA:25nCCCCCCCCCONCNCCCCCCCFFFSF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10F4N2OS
All Atoms:35
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.45065
Area:516.312
Solvation:-3.45714
Coulombic:-51.8725
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:366.334
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.18
LogP (Chemaxon):5.37

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Descriptor Annotations

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