SMILES:
COc1cc(N(C)C)nc(N)n1Molecular Processing
Molecular formula
C7H12N4O
Molecular weight
168.2
Exact mass
168.1011
XLogP
0.13
TPSA
64.27
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
47.32
Supplementary Information
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