名称: 6-phenylhexanenitrile
SMILES:
N#CCCCCCc1ccccc1Molecular Processing
Molecular formula
C12H15N
Molecular weight
173.26
Exact mass
173.1204
XLogP
3.31
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
54.23
Supplementary Information
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