Chemical ID: 5281976

c1cc(cc(c1)F)C=C2C(=O)NC(=Nc3ccc(cc3)Cl)S2
Chemical ID:
5281976
Name [?]:
2-(4-chlorophenyl)imino-5-[(3-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)F)C=C2C(=O)NC(=Nc3ccc(cc3)Cl)S2
InChi [?]:
InChI=1/C16H10ClFN2OS/c17-11-4-6-13(7-5-11)19-16-20-15(21)14(22-16)9-10-2-1-3-12(18)8-10/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,19,16,20,4,8,3,18,5,15,9,10,13,21,7,14,12,11,22/E:(4,5)(6,7)/rA:22nCCCCCCFCCCONCNCCCCCCClS/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClFN2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.96823
Area:507.723
Solvation:-2.72485
Coulombic:-33.5781
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:332.781
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.88
LogP (Chemaxon):5.01

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Descriptor Annotations

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