SMILES:
CC(C)(C)Oc1ccc(N)cn1Molecular Processing
Molecular formula
C9H14N2O
Molecular weight
166.22
Exact mass
166.1106
XLogP
1.84
TPSA
48.14
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
49.03
Supplementary Information
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