Name: 2-cyano-1,2,3,4,8,9,10,10a-octahydronaphth[1,8-cd]azepine
SMILES:
N#CC1CC2=C3C(=CC=NC2)CCCC3C1Molecular Processing
Molecular formula
C14H16N2
Molecular weight
212.3
Exact mass
212.1313
XLogP
3.03
TPSA
36.15
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
64.15
Supplementary Information
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