Название: 4-{[(3-amino-2-chloroquinolin-4-yl)amino]methyl}tetrahydro-2H-thiopyran-4-ol
SMILES:
Nc1c(Cl)nc2ccccc2c1NCC1(O)CCSCC1Molecular Processing
Molecular formula
C15H18ClN3OS
Molecular weight
323.85
Exact mass
323.0859
XLogP
3.14
TPSA
71.17
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
91.16
Supplementary Information
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