SMILES:
CCN(CC=CC#CC(C)(C)C)Cc1cccc(Br)c1Molecular Processing
Molecular formula
C18H24BrN
Molecular weight
334.3
Exact mass
333.1092
XLogP
4.88
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
91.46
Supplementary Information
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