SMILES:
NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=OMolecular Processing
Molecular formula
C16H13ClN2O
Molecular weight
284.75
Exact mass
284.0716
XLogP
3.1
TPSA
48.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
82.45
Supplementary Information
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