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Chemical ID: 7724847
Chemical ID:
7724847
Name [?]:
None
SMILES [?]:
c1cc(sc1)c2nnc3n2nc(cc3)SCC(=O)N4CCCC4
InChi [?]:
InChI=1/C15H15N5OS2/c21-14(19-7-1-2-8-19)10-23-13-6-5-12-16-17-15(20(12)18-13)11-4-3-9-22-11/h3-6,9H,1-2,7-8,10H2
InChi Info:
AuxInfo=1/0/N:21,22,1,2,14,13,20,23,5,16,3,9,12,17,6,8,7,11,19,10,18,4,15/E:(1,2)(7,8)/rA:23nCCCSCCNNCNNCCCSCCONCCCC/rB:s1;d2;s3;d1s4;s3;d6;s7;d8;s6s9;s10;d11;s12;s9d13;s12;s15;s16;d17;s17;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N5OS2 |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.99676 |
Area: | 516.857 |
Solvation: | -2.92466 |
Coulombic: | -27.7839 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.43 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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