SMILES:
COc1ccc(-n2ccnc2-c2ccccc2)cc1Molecular Processing
Molecular formula
C16H14N2O
Molecular weight
250.3
Exact mass
250.1106
XLogP
3.55
TPSA
27.05
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
75.55
Supplementary Information
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