이름: product
SMILES:
CCCCc1nn2ccccc2c1C(=O)c1ccc(Br)cc1Molecular Processing
Molecular formula
C18H17BrN2O
Molecular weight
357.25
Exact mass
356.0524
XLogP
4.67
TPSA
34.37
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
91.38
Supplementary Information
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