이름: compound 61b
SMILES:
Cc1ccc(-c2ccccc2)nc1Molecular Processing
Molecular formula
C12H11N
Molecular weight
169.23
Exact mass
169.0891
XLogP
3.06
TPSA
12.89
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
54.41
Supplementary Information
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