Name: 7a
SMILES:
Cc1ccc(NC2(C#N)CCC2)cc1Molecular Processing
Molecular formula
C12H14N2
Molecular weight
186.26
Exact mass
186.1157
XLogP
2.85
TPSA
35.82
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
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
0.417
Molar refractivity
57
Supplementary Information
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