Chemical ID: 3965529

Cn1cnc(c1Sc2c-3ncnc3nc[nH]2)[N+](=O)[O-]
Chemical ID:
3965529
Name [?]:
6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-purine
SMILES [?]:
Cn1cnc(c1Sc2c-3ncnc3nc[nH]2)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H7N7O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:3.80415
Area:426.231
Solvation:-6.85163
Coulombic:-55.4741
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.07
LogP (Chemaxon):0.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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