名称: 6-benzyl-4-chloro-3-nitroquinoline
SMILES:
O=[N+]([O-])c1cnc2ccc(Cc3ccccc3)cc2c1ClMolecular Processing
Molecular formula
C16H11ClN2O2
Molecular weight
298.73
Exact mass
298.0509
XLogP
4.39
TPSA
56.03
H-bond donors
0
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
82.66
Supplementary Information
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