Name: compound ( 21 )
SMILES:
CCOCC.c1ccc2nc3ccccc3nc2c1Molecular Processing
Molecular formula
C16H18N2O
Molecular weight
254.33
Exact mass
254.1419
XLogP
3.83
TPSA
35.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
79.21
Supplementary Information
Details werden geladen…
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