이름: 7-benzyl-3-nitroquinolin-4-ol
SMILES:
O=[N+]([O-])c1cnc2cc(Cc3ccccc3)ccc2c1OMolecular Processing
Molecular formula
C16H12N2O3
Molecular weight
280.28
Exact mass
280.0848
XLogP
3.44
TPSA
76.26
H-bond donors
1
H-bond acceptors
4
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
79.31
Supplementary Information
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