Nombre: 3-aminomethyl-indan-1-carboxylic acid methyl ester
SMILES:
COC(=O)C1CC(CN)c2ccccc21Molecular Processing
Molecular formula
C12H15NO2
Molecular weight
205.26
Exact mass
205.1103
XLogP
1.39
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
57.61
Supplementary Information
Obteniendo detalles…
Participa en 9 reacciones→