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Chemical ID: 6126557
Chemical ID:
6126557
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Nc3c(nns3)C(=O)N2
InChi [?]:
InChI=1/C9H6N4OS/c14-8-7-9(15-13-12-7)11-6-4-2-1-3-5(6)10-8/h1-4,11H,(H,10,14)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,4,5,9,13,8,15,7,10,11,14,12/rA:15nCCCCCCNCCNNSCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s9;d13;s4s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H6N4OS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.07166 |
Area: | 357.764 |
Solvation: | -1.87245 |
Coulombic: | -36.144 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 218.236 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.34 |
LogP (Chemaxon): | 1.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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