Chemical ID: 5186766

c1cc2c(cc1C=Cc3nc(c(c(n3)O)[N+](=O)[O-])O)OCO2
Chemical ID:
5186766
Name [?]:
2-(2-benzo[1,3]dioxol-5-ylvinyl)-5-nitro-pyrimidine-4,6-diol
SMILES [?]:
c1cc2c(cc1C=Cc3nc(c(c(n3)O)[N+](=O)[O-])O)OCO2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H9N3O6
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:0.664674
Area:449.679
Solvation:-10.5773
Coulombic:-73.2281
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:303.227
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.06
LogP (Chemaxon):3.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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