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Chemical ID: 7142601
Chemical ID:
7142601
Name [?]:
3-[5-(5-fluoro-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1N2C(=O)C(=C3c4cc(ccc4NC3=O)F)SC2=S)C(=O)O
InChi [?]:
InChI=1/C19H11FN2O4S2/c1-8-2-3-9(18(25)26)6-13(8)22-17(24)15(28-19(22)27)14-11-7-10(20)4-5-12(11)21-16(14)23/h2-7H,1H3,(H,21,23)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,17,6,14,2,5,15,13,18,7,12,11,20,9,26,24,22,19,8,21,10,27,28,25,23/E:(25,26)/rA:28nCCCCCCCNCOCCCCCCCCNCOFSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s15;s11;s8s23;d24;s5;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H11FN2O4S2 |
All Atoms: | 39 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3264 |
Area: | 574.261 |
Solvation: | -4.03009 |
Coulombic: | -69.2329 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.26 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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