名称: 3-[3-[(hexahydro-1H-azepin-1-yl) methyl]phenoxy]-1-propanamine
SMILES:
NCCCOc1cccc(CN2CCCCCC2)c1Molecular Processing
Molecular formula
C16H26N2O
Molecular weight
262.4
Exact mass
262.2045
XLogP
2.79
TPSA
38.49
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
79.35
Supplementary Information
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