이름: 2-(3-bromo-phenyl)-6-fluoro-4,4-dimethyl-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid methyl ester
SMILES:
COC(=O)c1cc(F)cc2c1NC(c1cccc(Br)c1)CC2(C)CMolecular Processing
Molecular formula
C19H19BrFNO2
Molecular weight
392.27
Exact mass
391.0583
XLogP
5.21
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
95.89
Supplementary Information
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