Name: 1-[1-(2-Chlorophenyl)cyclobutyl]-6-fluoro-7-hydroxy-2methyl-1,2,3,4-tetrahydroisoquinoline
SMILES:
CN1CCc2cc(F)c(O)cc2C1C1(c2ccccc2Cl)CCC1Molecular Processing
Molecular formula
C20H21ClFNO
Molecular weight
345.85
Exact mass
345.1296
XLogP
4.84
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
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
94.12
Supplementary Information
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