SMILES:
N#CCN1C(=O)c2ccccc2C1=OMolecular Processing
Molecular formula
C10H6N2O2
Molecular weight
186.17
Exact mass
186.0429
XLogP
0.81
TPSA
61.17
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
47.42
Supplementary Information
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