Chemical ID: 4198514

Cn1cnc2c1c(=O)n(c(=O)n2C)Cc3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4198514
Name [?]:
3,7-dimethyl-1-[(4-nitrophenyl)methyl]purine-2,6-dione
SMILES [?]:
Cn1cnc2c1c(=O)n(c(=O)n2C)Cc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H13N5O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.63693
Area:482.269
Solvation:-7.41979
Coulombic:-60.073
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:315.284
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.98
LogP (Chemaxon):2.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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