이름: 1-Boc-4-(3-ethylphenyl)-piperazine
SMILES:
CCc1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1Molecular Processing
Molecular formula
C17H26N2O2
Molecular weight
290.41
Exact mass
290.1994
XLogP
3.31
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
85.84
Supplementary Information
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