Name: compound 28
SMILES:
O=C1NN=C(c2ccccc2)c2c[nH]c3cccc1c23Molecular Processing
Molecular formula
C16H11N3O
Molecular weight
261.28
Exact mass
261.0902
XLogP
2.66
TPSA
57.25
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
77.85
Supplementary Information
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