Name: 1,6-dimethyl-5-nitro-3-(3-((tetrahydro-2H-pyran-2-yl)oxy)propyl)pyrimidine-2,4(1H,3H)-dione
SMILES:
Cc1c([N+](=O)[O-])c(=O)n(CCCOC2CCCCO2)c(=O)n1CMolecular Processing
Molecular formula
C14H21N3O6
Molecular weight
327.34
Exact mass
327.143
XLogP
0.7
TPSA
105.6
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
81.49
Supplementary Information
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