SMILES:
CCc1cc(-c2cccnc2)on1Molecular Processing
Molecular formula
C10H10N2O
Molecular weight
174.2
Exact mass
174.0793
XLogP
2.3
TPSA
38.92
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
49.11
Supplementary Information
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