SMILES:
Cc1ccccc1C1(C#N)CCNCC1Molecular Processing
Molecular formula
C13H16N2
Molecular weight
200.28
Exact mass
200.1313
XLogP
2.14
TPSA
35.82
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
60.57
Supplementary Information
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