Chemical ID: 5636616

c1cc(ccc1c2ccc(o2)C=C3C(=O)N(C(=S)S3)CC(=O)O)I
Chemical ID:
5636616
Name [?]:
2-[5-[[5-(4-iodophenyl)-2-furyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
SMILES [?]:
c1cc(ccc1c2ccc(o2)C=C3C(=O)N(C(=S)S3)CC(=O)O)I
InChi [?]:
InChI=1/C16H10INO4S2/c17-10-3-1-9(2-4-10)12-6-5-11(22-12)7-13-15(21)18(8-14(19)20)16(23)24-13/h1-7H,8H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,9,8,12,20,6,3,10,7,13,21,14,17,24,16,22,23,15,11,18,19/E:(1,2)(3,4)(19,20)/rA:24nCCCCCCCCCCOCCCONCSSCCOOI/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;w12;s13;d14;s14;s16;d17;s13s17;s16;s20;d21;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10INO4S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2202
Area:567.402
Solvation:-3.96483
Coulombic:-51.1685
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:471.291
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.93
LogP (Chemaxon):3.74

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Descriptor Annotations

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