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Chemical ID: 5222356
Chemical ID:
5222356
Name [?]:
None
SMILES [?]:
CNc1c2c(c3ccccc3s2)nnn1
InChi [?]:
InChI=1/C10H8N4S/c1-11-10-9-8(12-14-13-10)6-4-2-3-5-7(6)15-9/h2-5H,1H3,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,6,11,5,4,3,2,13,15,14,12/rA:15nCNCCCCCCCCCSNNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s5;d13;d3s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N4S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2397 |
Area: | 372.59 |
Solvation: | -1.07506 |
Coulombic: | -17.5449 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 216.263 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.69 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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