SMILES:
CCOC(=O)Cc1ccc(-n2ccnc2)cc1Molecular Processing
Molecular formula
C13H14N2O2
Molecular weight
230.27
Exact mass
230.1055
XLogP
1.98
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
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
0.231
Molar refractivity
63.9
Supplementary Information
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