Nombre: 6-n-propylergoline
SMILES:
CCCN1C[C@@H](NC(=O)OCc2ccccc2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21Molecular Processing
Molecular formula
C25H29N3O2
Molecular weight
403.53
Exact mass
403.226
XLogP
4.59
TPSA
57.36
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
118.56
Supplementary Information
Obteniendo detalles…
Participa en 2 reacciones→