SMILES:
N#CCCCBrMolecular Processing
Molecular formula
C4H6BrN
Molecular weight
148
Exact mass
146.9684
XLogP
1.69
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
28.64
Supplementary Information
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