SMILES:
COc1cc(C#N)c(NC(C)C)cc1OCMolecular Processing
Molecular formula
C12H16N2O2
Molecular weight
220.27
Exact mass
220.1212
XLogP
2.4
TPSA
54.28
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
63.02
Supplementary Information
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