이름: 6′-bromo-5,7,8,9-tetrahydrospiro[benzo[7]annulene-6,2′-inden]-1′(3′H)-one
SMILES:
O=C1c2cc(Br)ccc2CC12CCCc1ccccc1C2Molecular Processing
Molecular formula
C19H17BrO
Molecular weight
341.25
Exact mass
340.0463
XLogP
4.75
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
21
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
87.69
Supplementary Information
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