SMILES:
CCCCC(C)(C)C#NMolecular Processing
Molecular formula
C8H15N
Molecular weight
125.21
Exact mass
125.1204
XLogP
2.73
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
38.92
Supplementary Information
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