Chemical ID: 6464635

Cc1ccc(cc1)N=C2NC(=O)C(=Cc3c(cccc3Cl)F)S2
Chemical ID:
6464635
Name [?]:
5-[(2-chloro-6-fluoro-phenyl)methylene]-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2NC(=O)C(=Cc3c(cccc3Cl)F)S2
InChi [?]:
InChI=1/C17H12ClFN2OS/c1-10-5-7-11(8-6-10)20-17-21-16(22)15(23-17)9-12-13(18)3-2-4-14(12)19/h2-9H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,3,7,4,6,14,2,5,15,20,16,13,11,9,21,22,8,10,12,23/E:(5,6)(7,8)/rA:23nCCCCCCCNCNCOCCCCCCCCClFS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s16;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClFN2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3551
Area:519.745
Solvation:-2.63848
Coulombic:-33.3696
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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