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Chemical ID: 7684009
Chemical ID:
7684009
Name [?]:
None
SMILES [?]:
c1cc(sc1)C(=O)c2cc(cc(c2)C(=O)c3cccs3)C(=O)c4cccs4
InChi [?]:
InChI=1/C21H12O3S3/c22-19(16-4-1-7-25-16)13-10-14(20(23)17-5-2-8-26-17)12-15(11-13)21(24)18-6-3-9-27-18/h1-12H
InChi Info:
AuxInfo=1/0/N:1,18,25,2,17,24,5,19,26,13,9,11,8,12,10,3,16,23,6,14,21,7,15,22,4,20,27/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12)(13,14,15)(16,17,18)(19,20,21)(22,23,24)(25,26,27)/rA:27nCCCSCCOCCCCCCCOCCCCSCOCCCCS/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s12;d14;s14;d16;s17;d18;s16s19;s10;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H12O3S3 |
All Atoms: | 39 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1648 |
Area: | 571.98 |
Solvation: | -3.13469 |
Coulombic: | -30.4528 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.76 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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