Nombre: 3-hydroxy-3-isopropylaminomethyl-3,4-dihydro-2H-1,5-benzodioxepin
SMILES:
CC(C)NCC1(O)COc2ccccc2OC1Molecular Processing
Molecular formula
C13H19NO3
Molecular weight
237.3
Exact mass
237.1365
XLogP
1.19
TPSA
50.72
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
65.52
Supplementary Information
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