Name: 3-(4-bromo-benzoyl)-cyclohexanecarboxylic acid methyl ester
SMILES:
COC(=O)C1CCCC(C(=O)c2ccc(Br)cc2)C1Molecular Processing
Molecular formula
C15H17BrO3
Molecular weight
325.2
Exact mass
324.0361
XLogP
3.61
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
75.94
Supplementary Information
Details werden geladen…
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