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Chemical ID: 7705939
Chemical ID:
7705939
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2nc(sn2)SCC(=O)Nc3nc4ccccc4s3
InChi [?]:
InChI=1/C17H12N4OS3/c22-14(19-16-18-12-8-4-5-9-13(12)24-16)10-23-17-20-15(21-25-17)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,22,3,5,20,23,13,4,19,24,14,7,17,9,18,16,8,11,15,12,25,10/E:(2,3)(6,7)/rA:25nCCCCCCCNCSNSCCONCNCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;d14;s14;s16;d17;s18;s19;d20;s21;d22;d19s23;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12N4OS3 |
All Atoms: | 37 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.3194 |
Area: | 595.662 |
Solvation: | -3.57212 |
Coulombic: | -37.9661 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.16 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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