SMILES:
N#CC(N)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C9H8N2O2
Molecular weight
176.17
Exact mass
176.0586
XLogP
0.94
TPSA
68.27
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
45.11
Supplementary Information
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