이름: 4-[(4-bromophenyl)(3,3,5,5-tetramethyl cyclohexylidene)methyl]-2-chlorophenol
SMILES:
CC1(C)CC(=C(c2ccc(Br)cc2)c2ccc(O)c(Cl)c2)CC(C)(C)C1Molecular Processing
Molecular formula
C23H26BrClO
Molecular weight
433.82
Exact mass
432.0856
XLogP
7.85
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
114.69
Supplementary Information
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