COc1ccc(F)c(-c2ncc(CBr)cc2CC(C)(C)C)c1
이름: 5-(bromomethyl)-2-(2-fluoro-5-methoxyphenyl)-3-neopentylpyridine
SMILES: COc1ccc(F)c(-c2ncc(CBr)cc2CC(C)(C)C)c1

Molecular Processing

Molecular formula
C18H21BrFNO
Molecular weight
366.27
Exact mass
365.0791
XLogP
5.38
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
91.97

Supplementary Information

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