SMILES:
C(=C1/CCCCC1N1CCC1)/c1ccccc1Molecular Processing
Molecular formula
C16H21N
Molecular weight
227.35
Exact mass
227.1674
XLogP
3.72
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
72.87
Supplementary Information
Details werden geladen…