Name: 1,6-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
SMILES:
Cc1c([N+](=O)[O-])c(=O)[nH]c(=O)n1CMolecular Processing
Molecular formula
C6H7N3O4
Molecular weight
185.14
Exact mass
185.0437
XLogP
-0.71
TPSA
98
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
43.7
Supplementary Information
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