이름: N-(3-[1,3]dioxolan-2-yl-phenyl)-5-methyl-nicotinamide
SMILES:
Cc1cncc(C(=O)Nc2cccc(C3OCCO3)c2)c1Molecular Processing
Molecular formula
C16H16N2O3
Molecular weight
284.31
Exact mass
284.1161
XLogP
2.69
TPSA
60.45
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
78.01
Supplementary Information
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