名称: product
SMILES:
CN1CCc2c(N)cc3[nH]c(=O)c(=O)[nH]c3c2C1Molecular Processing
Molecular formula
C12H14N4O2
Molecular weight
246.27
Exact mass
246.1117
XLogP
-0.21
TPSA
94.98
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
69.64
Supplementary Information
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