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Chemical ID: 7725149
Chemical ID:
7725149
Name [?]:
None
SMILES [?]:
CCSc1ccc2nnc(n2n1)c3ccncc3
InChi [?]:
InChI=1/C12H11N5S/c1-2-18-11-4-3-10-14-15-12(17(10)16-11)9-5-7-13-8-6-9/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,5,14,18,15,17,13,7,4,10,16,8,9,12,11,3/E:(5,6)(7,8)/rA:18nCCSCCCCNNCNNCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s7s10;d4s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11N5S |
All Atoms: | 29 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.79876 |
Area: | 431.228 |
Solvation: | -1.98194 |
Coulombic: | -16.3854 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.96 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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