SMILES:
COc1ccc2nccc(CC(O)C3CCC(N)CO3)c2n1Molecular Processing
Molecular formula
C16H21N3O3
Molecular weight
303.36
Exact mass
303.1583
XLogP
1.05
TPSA
90.49
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
82.75
Supplementary Information
Récupération des détails…
Impliqué dans 1 réactions→