SMILES:
CC(C)C(O)c1ccnn1-c1ccccc1Molecular Processing
Molecular formula
C13H16N2O
Molecular weight
216.28
Exact mass
216.1263
XLogP
2.56
TPSA
38.05
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
63.36
Supplementary Information
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