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Chemical ID: 7725150
Chemical ID:
7725150
Name [?]:
None
SMILES [?]:
c1cc(nn2c1nnc2c3ccncc3)SCC(=O)N4CCCC4
InChi [?]:
InChI=1/C16H16N6OS/c23-15(21-9-1-2-10-21)11-24-14-4-3-13-18-19-16(22(13)20-14)12-5-7-17-8-6-12/h3-8H,1-2,9-11H2
InChi Info:
AuxInfo=1/0/N:22,23,1,2,11,15,12,14,21,24,17,10,6,3,18,9,13,7,8,4,20,5,19,16/E:(1,2)(5,6)(7,8)(9,10)/rA:24nCCCNNCNNCCCCNCCSCCONCCCC/rB:d1;s2;d3;s4;s1s5;d6;s7;s5d8;s9;s10;d11;s12;d13;d10s14;s3;s16;s17;d18;s18;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N6OS |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.37003 |
Area: | 520.601 |
Solvation: | -3.64501 |
Coulombic: | -30.7429 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.16 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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