Chemical ID: 7142119

Cc1ccc(cc1N2C(=O)C(=Cc3ccccc3F)SC2=S)C(=O)O
Chemical ID:
7142119
Name [?]:
3-[5-[(2-fluorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1N2C(=O)C(=Cc3ccccc3F)SC2=S)C(=O)O
InChi [?]:
InChI=1/C18H12FNO3S2/c1-10-6-7-12(17(22)23)8-14(10)20-16(21)15(25-18(20)24)9-11-4-2-3-5-13(11)19/h2-9H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,3,4,6,12,2,13,5,18,7,11,9,23,21,19,8,10,24,25,22,20/E:(22,23)/rA:25nCCCCCCCNCOCCCCCCCCFSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s11;s8s20;d21;s5;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12FNO3S2
All Atoms:37
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.522
Area:548.107
Solvation:-3.1807
Coulombic:-51.0469
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.39
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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