이름: 6-(2-morpholinoethoxy)-2-bromo-3-phenyl-1H-inden-1-one
SMILES:
O=C1C(Br)=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc21Molecular Processing
Molecular formula
C21H20BrNO3
Molecular weight
414.3
Exact mass
413.0627
XLogP
3.75
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
104.92
Supplementary Information
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