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Chemical ID: 4340077
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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