SMILES:
CC(C)(C)OC(=O)n1ncc2cc(N)ccc21Molecular Processing
Molecular formula
C12H15N3O2
Molecular weight
233.27
Exact mass
233.1164
XLogP
2.4
TPSA
70.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
65.78
Supplementary Information
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