SMILES:
COc1cc2nc[nH]c2cc1OCMolecular Processing
Molecular formula
C9H10N2O2
Molecular weight
178.19
Exact mass
178.0742
XLogP
1.58
TPSA
47.14
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
49.2
Supplementary Information
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