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Chemical ID: 7725145
Chemical ID:
7725145
Name [?]:
None
SMILES [?]:
CC(=O)C(C(=O)C)Sc1ccc2nnc(n2n1)c3cccnc3
InChi [?]:
InChI=1/C15H13N5O2S/c1-9(21)14(10(2)22)23-13-6-5-12-17-18-15(20(12)19-13)11-4-3-7-16-8-11/h3-8,14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,20,19,11,10,21,23,2,5,18,12,9,4,15,22,13,14,17,16,3,6,8/E:(1,2)(9,10)(21,22)/rA:23nCCOCCOCSCCCCNNCNNCCCCNC/rB:s1;d2;s2;s4;d5;s5;s4;s8;s9;d10;s11;d12;s13;d14;s12s15;d9s16;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13N5O2S |
All Atoms: | 36 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.88307 |
Area: | 483.592 |
Solvation: | -4.20674 |
Coulombic: | -28.7267 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.99 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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