Chemical ID: 4306562

COc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3cccc(c3)F
Chemical ID:
4306562
Name [?]:
3-(3-fluorophenyl)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3cccc(c3)F
InChi [?]:
InChI=1/C17H12FNO3S2/c1-22-14-7-10(5-6-13(14)20)8-15-16(21)19(17(23)24-15)12-4-2-3-11(18)9-12/h2-9,20H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,19,6,7,4,10,23,5,22,18,8,3,11,12,15,24,14,9,13,2,16,17/rA:24nCOCCCCCCOCCCONCSSCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12FNO3S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.16448
Area:529.073
Solvation:-5.06235
Coulombic:-45.5977
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:361.413
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.06
LogP (Chemaxon):4.09

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