SMILES:
C=CCOc1cc(N)ccc1C#NMolecular Processing
Molecular formula
C10H10N2O
Molecular weight
174.2
Exact mass
174.0793
XLogP
1.71
TPSA
59.04
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
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
0.1
Molar refractivity
51.26
Supplementary Information
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