Name: Intermediate 51
SMILES:
CC1(C)CCN(C2CC2)c2ccc(Br)cc21Molecular Processing
Molecular formula
C14H18BrN
Molecular weight
280.21
Exact mass
279.0623
XLogP
4.1
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
72.15
Supplementary Information
Details werden geladen…
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