Name: 1-[1-(2-chlorophenyl)cyclopropyl]-6-fluoro-7-hydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrobromide
SMILES:
Br.CN1CCc2cc(F)c(O)cc2C1C1(c2ccccc2Cl)CC1Molecular Processing
Molecular formula
C19H20BrClFNO
Molecular weight
412.73
Exact mass
411.0401
XLogP
5.02
TPSA
23.47
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.368
Molar refractivity
99.83
Supplementary Information
Details werden geladen…
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