SMILES:
OCCC#Cc1cncc2ccccc12Molecular Processing
Molecular formula
C13H11NO
Molecular weight
197.24
Exact mass
197.0841
XLogP
1.97
TPSA
33.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
60.32
Supplementary Information
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