Chemical ID: 4862816

COc1ccccc1C=C2C(=O)N(C(=S)S2)c3cccc(c3)F
Chemical ID:
4862816
Name [?]:
3-(3-fluorophenyl)-5-[(2-methoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
COc1ccccc1C=C2C(=O)N(C(=S)S2)c3cccc(c3)F
InChi [?]:
InChI=1/C17H12FNO2S2/c1-21-14-8-3-2-5-11(14)9-15-16(20)19(17(22)23-15)13-7-4-6-12(18)10-13/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,19,7,20,18,4,9,22,8,21,17,3,10,11,14,23,13,12,2,15,16/rA:23nCOCCCCCCCCCONCSSCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12FNO2S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.36362
Area:512.42
Solvation:-3.44688
Coulombic:-30.8872
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:345.413
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.47
LogP (Chemaxon):4.38

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