名称: (3RS,4RS)-4-(3-aminopropyl)-7-methoxymethoxy-3-(4-methoxymethoxyphenyl)-3-methylchroman
SMILES:
COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCN)cc1Molecular Processing
Molecular formula
C23H31NO5
Molecular weight
401.5
Exact mass
401.2202
XLogP
3.82
TPSA
72.17
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
111.77
Supplementary Information
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