Nombre: 2-(4-heptyloxy-phenyl)-pyrimidine-5-carboxaldehyde
SMILES:
CCCCCCCOc1ccc(-c2ncc(C=O)cn2)cc1Molecular Processing
Molecular formula
C18H22N2O2
Molecular weight
298.39
Exact mass
298.1681
XLogP
4.31
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
87.11
Supplementary Information
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