Chemical ID: 6692208

Cn1cnc(c1Sc2c3c(nc[nH]3)ncn2)N(=O)=O
Chemical ID:
6692208
Name [?]:
6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine
SMILES [?]:
Cn1cnc(c1Sc2c3c(nc[nH]3)ncn2)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:3.94264
Area:431.94
Solvation:-6.85585
Coulombic:-55.7588
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.66
LogP (Chemaxon):1.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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