Название: 1-[4-(7-Chloro-1-methoxy-isoquinolin-6-yloxy)-1-trifluoromethyl-cyclohexyl]-propylamine
SMILES:
CCC(N)C1(C(F)(F)F)CCC(Oc2cc3ccnc(OC)c3cc2Cl)CC1Molecular Processing
Molecular formula
C20H24ClF3N2O2
Molecular weight
416.87
Exact mass
416.1478
XLogP
5.5
TPSA
57.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
102.94
Supplementary Information
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