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Chemical ID: 7667518
Chemical ID:
7667518
Name [?]:
None
SMILES [?]:
CCSc1nnc(n1CCOC)c2ccncc2
InChi [?]:
InChI=1/C12H16N4OS/c1-3-18-12-15-14-11(16(12)8-9-17-2)10-4-6-13-7-5-10/h4-7H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,14,18,15,17,9,10,13,7,4,16,6,5,8,11,3/E:(4,5)(6,7)/rA:18nCCSCNNCNCCOCCCCNCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s9;s10;s11;s7;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N4OS |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.54517 |
Area: | 462.945 |
Solvation: | -3.02845 |
Coulombic: | -25.4686 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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