이름: 6-(2-morpholinoethoxy)-2-bromo-3-(4-fluorophenyl)-1H-inden-1-one
SMILES:
O=C1C(Br)=C(c2ccc(F)cc2)c2ccc(OCCN3CCOCC3)cc21Molecular Processing
Molecular formula
C21H19BrFNO3
Molecular weight
432.29
Exact mass
431.0532
XLogP
3.89
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
104.88
Supplementary Information
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