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Chemical ID: 7706170
Chemical ID:
7706170
Name [?]:
None
SMILES [?]:
Cc1ccccc1c2nc(sn2)SCC(=O)Nc3nc(cs3)C
InChi [?]:
InChI=1/C15H14N4OS3/c1-9-5-3-4-6-11(9)13-18-15(23-19-13)22-8-12(20)17-14-16-10(2)7-21-14/h3-7H,8H2,1-2H3,(H,16,17,20)
InChi Info:
AuxInfo=1/1/N:1,23,4,5,3,6,21,14,2,20,7,15,8,18,10,19,17,9,12,16,22,13,11/rA:23nCCCCCCCCNCSNSCCONCNCCSC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d8s11;s10;s13;s14;d15;s15;s17;d18;s19;d20;s18s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N4OS3 |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8071 |
Area: | 564.232 |
Solvation: | -3.29868 |
Coulombic: | -36.2848 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.81 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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