SMILES:
CCOC(=O)c1cnc2cc(N)ccc2c1Molecular Processing
Molecular formula
C12H12N2O2
Molecular weight
216.24
Exact mass
216.0899
XLogP
1.99
TPSA
65.21
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
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
0.167
Molar refractivity
62.11
Supplementary Information
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