이름: 3
SMILES:
CC(C)Cn1c2ccccc2c2cc(Br)ccc21Molecular Processing
Molecular formula
C16H16BrN
Molecular weight
302.21
Exact mass
301.0466
XLogP
5.21
TPSA
4.93
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
81.98
Supplementary Information
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