SMILES:
C#CCNC1CCc2ccccc21Molecular Processing
Molecular formula
C12H13N
Molecular weight
171.24
Exact mass
171.1048
XLogP
1.9
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
54.34
Supplementary Information
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