SMILES:
CC(Cl)C(=O)Nc1cccc(-c2cnc3ccccc3n2)c1Molecular Processing
Molecular formula
C17H14ClN3O
Molecular weight
311.77
Exact mass
311.0825
XLogP
3.86
TPSA
54.88
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
88.92
Supplementary Information
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