Chemical ID: 4193341

COc1ccccc1C=Cc2[nH]c(=O)c(c(n2)O)[N+](=O)[O-]
Chemical ID:
4193341
Name [?]:
6-hydroxy-2-[2-(2-methoxyphenyl)vinyl]-5-nitro-3H-pyrimidin-4-one
SMILES [?]:
COc1ccccc1C=Cc2[nH]c(=O)c(c(n2)O)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H11N3O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:1.29542
Area:436.432
Solvation:-9.61537
Coulombic:-63.7327
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:289.244
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.98
LogP (Chemaxon):1.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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