이름: 1-(1,3-dioxolan-2-ylmethyl)-6-bromoquinolin-2(1H)-one
SMILES:
O=c1ccc2cc(Br)ccc2n1CC1OCCO1Molecular Processing
Molecular formula
C13H12BrNO3
Molecular weight
310.15
Exact mass
309.0001
XLogP
2.14
TPSA
40.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
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
0.308
Molar refractivity
71.6
Supplementary Information
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