Name: 1-bromo-3-(2-methylbenzoyl)-5,6,7,8-tetrahydro-2-naphthol
SMILES:
Cc1ccccc1C(=O)c1cc2c(c(Br)c1O)CCCC2Molecular Processing
Molecular formula
C18H17BrO2
Molecular weight
345.24
Exact mass
344.0412
XLogP
4.57
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
87.06
Supplementary Information
Details werden geladen…
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