SMILES:
O=C(CCl)Nc1cccc(-c2cnc3ccccc3n2)c1Molecular Processing
Molecular formula
C16H12ClN3O
Molecular weight
297.75
Exact mass
297.0669
XLogP
3.47
TPSA
54.88
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
84.32
Supplementary Information
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