C[C@@H]1C[C@]2(CCO2)CCN1[C@H](C)c1ccccc1
SMILES: C[C@@H]1C[C@]2(CCO2)CCN1[C@H](C)c1ccccc1

Molecular Processing

Molecular formula
C16H23NO
Molecular weight
245.37
Exact mass
245.178
XLogP
3.39
TPSA
12.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
73.56

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions