名称: 4-[6-(4-Trifluoromethylphenyl)pyridazin-3-yl]-[1,4]diazepane, dihydrochloride
SMILES:
Cl.Cl.FC(F)(F)c1ccc(-c2ccc(N3CCCNCC3)nn2)cc1Molecular Processing
Molecular formula
C16H19Cl2F3N4
Molecular weight
395.26
Exact mass
394.0939
XLogP
3.81
TPSA
41.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.375
Molar refractivity
96.67
Supplementary Information
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