Name: Compound 16a
SMILES:
CN(C)/C=C\C(=O)c1ccccn1Molecular Processing
Molecular formula
C10H12N2O
Molecular weight
176.22
Exact mass
176.095
XLogP
1.34
TPSA
33.2
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
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
0.2
Molar refractivity
51.39
Supplementary Information
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