Chemical ID: 4199987

CC1=C(C(NC(=O)N1C)c2ccc(c(c2)[N+](=O)[O-])O)C(=O)OC
Chemical ID:
4199987
Name [?]:
methyl 4-(4-hydroxy-3-nitro-phenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=O)N1C)c2ccc(c(c2)[N+](=O)[O-])O)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H15N3O6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:2.58997
Area:475.114
Solvation:-9.28787
Coulombic:-75.5103
Bond Count [?]
All:24
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.286
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:1.06
LogP (Chemaxon):0.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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