Chemical ID: 7140025

Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
Chemical ID:
7140025
Name [?]:
2-(3-chloro-4-fluoro-phenyl)imino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
InChi [?]:
InChI=1/C17H12ClFN2OS/c1-10-2-4-11(5-3-10)8-15-16(22)21-17(23-15)20-12-6-7-14(19)13(18)9-12/h2-9H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,16,17,8,20,2,5,15,19,18,9,10,13,21,22,14,12,11,23/E:(2,3)(4,5)/rA:23nCCCCCCCCCCONCNCCCCCCClFS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClFN2OS
All Atoms:35
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4124
Area:527.245
Solvation:-2.76878
Coulombic:-33.2149
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:346.807
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.31
LogP (Chemaxon):5.48

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