SMILES:
[O-][n+]1cc2nc(CCl)n(CC3(O)CCC3)c2c2ccccc21Molecular Processing
Molecular formula
C16H16ClN3O2
Molecular weight
317.78
Exact mass
317.0931
XLogP
2.48
TPSA
64.99
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
84.56
Supplementary Information
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