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Chemical ID: 4249868
Chemical ID:
4249868
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3c(n2)Sc4nncn4N3
InChi [?]:
InChI=1/C10H6N6S/c1-2-4-7-6(3-1)12-8-9(13-7)17-10-14-11-5-16(10)15-8/h1-5H,(H,12,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,5,4,8,9,12,14,7,10,13,17,16,11/rA:17nCCCCCCNCCNSCNNCNN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;s12s15;s8s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6N6S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.80711 |
Area: | 383.549 |
Solvation: | -1.78161 |
Coulombic: | -29.9056 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 242.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.78 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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