Chemical ID: 7140936

c1cc(cc(c1)F)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
Chemical ID:
7140936
Name [?]:
2-(3-chloro-4-fluoro-phenyl)imino-5-[(3-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)F)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
InChi [?]:
InChI=1/C16H9ClF2N2OS/c17-12-8-11(4-5-13(12)19)20-16-21-15(22)14(23-16)7-9-2-1-3-10(18)6-9/h1-8H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,17,4,8,20,3,5,15,19,18,9,10,13,21,7,22,14,12,11,23/rA:23nCCCCCCFCCCONCNCCCCCCClFS/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9ClF2N2OS
All Atoms:32
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.16846
Area:512.566
Solvation:-3.64568
Coulombic:-36.3422
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:350.771
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.04
LogP (Chemaxon):5.15

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