Cc1cc(=O)n(CC2OCCO2)c2cc(Br)ccc12
이름: 7-bromo-1-(1,3-dioxolan-2-ylmethyl)-4-methylquinolin-2(1H)-one
SMILES: Cc1cc(=O)n(CC2OCCO2)c2cc(Br)ccc12

Molecular Processing

Molecular formula
C14H14BrNO3
Molecular weight
324.17
Exact mass
323.0157
XLogP
2.45
TPSA
40.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
76.34

Supplementary Information

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