이름: 1-(trans-4-aminocyclohexane-1-ylcarbonyl)-4-(6-chloronaphthalene-2-sulfonyl)piperazine hydrochloride
SMILES:
Cl.N[C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)CC1Molecular Processing
Molecular formula
C21H27Cl2N3O3S
Molecular weight
472.44
Exact mass
471.115
XLogP
3.27
TPSA
83.71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.476
Molar refractivity
121.48
Supplementary Information
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