O=C(O)C1CCN(c2ccc(Br)cc2)CC1
名称: 1-(4-bromophenyl)piperidine-4-carboxylic acid
SMILES: O=C(O)C1CCN(c2ccc(Br)cc2)CC1

Molecular Processing

Molecular formula
C12H14BrNO2
Molecular weight
284.15
Exact mass
283.0208
XLogP
2.75
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
66.71

Supplementary Information

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