Nombre: 2-(2-amino-3-methyl-3,4,5,6-tetrahydropyridin-3-yl)-1H-isoindole-1,3(2H)-dione hydrochloride
SMILES:
CC1(N2C(=O)c3ccccc3C2=O)CCCN=C1N.ClMolecular Processing
Molecular formula
C14H16ClN3O2
Molecular weight
293.75
Exact mass
293.0931
XLogP
1.61
TPSA
75.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.357
Molar refractivity
78.32
Supplementary Information
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