CCCc1nc(C#N)ccc1O
SMILES: CCCc1nc(C#N)ccc1O

Molecular Processing

Molecular formula
C9H10N2O
Molecular weight
162.19
Exact mass
162.0793
XLogP
1.61
TPSA
56.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
44.61

Supplementary Information

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