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Chemical ID: 7142177
Chemical ID:
7142177
Name [?]:
3-[5-[(3-chlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1N2C(=O)C(=Cc3cccc(c3)Cl)SC2=S)C(=O)O
InChi [?]:
InChI=1/C18H12ClNO3S2/c1-10-5-6-12(17(22)23)9-14(10)20-16(21)15(25-18(20)24)8-11-3-2-4-13(19)7-11/h2-9H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,3,4,18,12,6,2,13,5,17,7,11,9,23,21,19,8,10,24,25,22,20/E:(22,23)/rA:25nCCCCCCCNCOCCCCCCCCClSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s11;s8s20;d21;s5;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12ClNO3S2 |
All Atoms: | 37 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.8831 |
Area: | 571.766 |
Solvation: | -2.41101 |
Coulombic: | -47.8779 |
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: | 3.86 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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