Chemical ID: 4340077

c1cc(ccc1C=C2C(=O)N(C(=O)S2)c3ccc(cc3)F)Cl
Chemical ID:
4340077
Name [?]:
5-[(4-chlorophenyl)methylene]-3-(4-fluorophenyl)-thiazolidine-2,4-dione
SMILES [?]:
c1cc(ccc1C=C2C(=O)N(C(=O)S2)c3ccc(cc3)F)Cl
InChi [?]:
InChI=1/C16H9ClFNO2S/c17-11-3-1-10(2-4-11)9-14-15(20)19(16(21)22-14)13-7-5-12(18)6-8-13/h1-9H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,17,19,16,20,7,6,3,18,15,8,9,12,22,21,11,10,13,14/E:(1,2)(3,4)(5,6)(7,8)/rA:22nCCCCCCCCCONCOSCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s17;d18;d15s19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9ClFNO2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.22815
Area:496.979
Solvation:-3.19633
Coulombic:-32.8875
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:333.765
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.92
LogP (Chemaxon):4.41

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