SMILES:
NCc1cccc(N)c1Molecular Processing
Molecular formula
C7H10N2
Molecular weight
122.17
Exact mass
122.0844
XLogP
0.73
TPSA
52.04
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
38.75
Supplementary Information
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