SMILES:
C#CCOCc1cccnc1Molecular Processing
Molecular formula
C9H9NO
Molecular weight
147.18
Exact mass
147.0684
XLogP
1.23
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
11
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
0.222
Molar refractivity
42.73
Supplementary Information
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