Chemical ID: 5827278

c1cc(cc(c1)OCC(=O)O)C=C2C(=O)N(C(=S)S2)c3ccc(cc3)F
Chemical ID:
5827278
Name [?]:
2-[3-[[3-(4-fluorophenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
SMILES [?]:
c1cc(cc(c1)OCC(=O)O)C=C2C(=O)N(C(=S)S2)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H12FNO4S2/c19-12-4-6-13(7-5-12)20-17(23)15(26-18(20)25)9-11-2-1-3-14(8-11)24-10-16(21)22/h1-9H,10H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,24,21,25,4,12,8,3,23,20,5,13,9,14,17,26,16,10,11,15,7,18,19/E:(4,5)(6,7)(21,22)/rA:26nCCCCCCOCCOOCCCONCSSCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s3;w12;s13;d14;s14;s16;d17;s13s17;s16;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12FNO4S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.22807
Area:574.792
Solvation:-5.14173
Coulombic:-56.5983
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:389.423
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.85
LogP (Chemaxon):3.92

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