SMILES:
C=CC#N.C=CC=C.C=Cc1ccccc1CMolecular Processing
Molecular formula
C16H19N
Molecular weight
225.34
Exact mass
225.1517
XLogP
4.69
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
3
Fraction Csp3
0.062
Molar refractivity
77.47
Supplementary Information
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